USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=45 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: A 76 GLN : amide:sc= -3.76! C(o=-3.8!,f=-4.9!) USER MOD Set 1.2: B 150 MET CE :methyl -165:sc= 0 (180deg=-0.249) USER MOD Set 2.1: A 65 TYR OH : rot -110:sc= -0.585 USER MOD Set 2.2: B 141 MET CE :methyl -147:sc= -0.884 (180deg=-0.689) USER MOD Set 3.1: B 104 SER OG : rot -165:sc= 0.837 USER MOD Set 3.2: B 108 ASN : amide:sc= 0.904 K(o=1.7,f=-0.017) USER MOD Set 4.1: B 102 SER OG : rot -136:sc= -1.72! USER MOD Set 4.2: B 105 HIS : no HE2:sc= 0.962 K(o=-0.57,f=-11!) USER MOD Set 4.3: B 112 GLN : amide:sc= 0.188 K(o=-0.57,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 163:sc= 1.3 (180deg=1.1) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= -2.33! (180deg=-2.71!) USER MOD Single : A 7 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.086) USER MOD Single : A 9 HIS : no HD1:sc= -0.0765 X(o=-0.076,f=-0.00013) USER MOD Single : A 11 THR OG1 : rot -140:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.216 F(o=-1.3!,f=-0.22) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.787 K(o=0.79,f=-3.8!) USER MOD Single : A 20 HIS : no HE2:sc= -0.155 K(o=-0.16,f=-3.8!) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.0258 (180deg=-0.141) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 29 THR OG1 : rot -97:sc= -0.0145 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 171:sc= -3.59! (180deg=-3.63!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00838 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0352 (180deg=-0.297) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0268 (180deg=-0.321) USER MOD Single : A 54 MET CE :methyl 165:sc= -1.36! (180deg=-2.59!) USER MOD Single : A 55 TYR OH : rot 150:sc= -0.153 USER MOD Single : A 57 SER OG : rot 94:sc= 1.24 USER MOD Single : A 59 ASN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.464 USER MOD Single : A 64 TYR OH : rot 34:sc= 0.937 USER MOD Single : A 66 HIS : no HE2:sc= 0.573 K(o=0.57,f=-4!) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= -1.85! (180deg=-2.13!) USER MOD Single : A 73 TYR OH : rot 68:sc= 1.09 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -148:sc= 1.23 (180deg=-0.103!) USER MOD Single : A 82 LYS NZ :NH3+ -137:sc= 0.617 (180deg=-1.32) USER MOD Single : A 85 SER OG : rot 47:sc= 0.0825 USER MOD Single : B 103 MET CE :methyl -161:sc= -0.105 (180deg=-0.71) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= 0.751 K(o=0.75,f=-9.1!) USER MOD Single : B 110 THR OG1 : rot 150:sc= -0.168 USER MOD Single : B 116 THR OG1 : rot 77:sc= 1.22 USER MOD Single : B 117 SER OG : rot -90:sc= 0.876 USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 121 SER OG : rot 159:sc= 1.3 USER MOD Single : B 122 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : B 123 SER OG : rot 44:sc= 0.00979 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 138:sc= 1.28 USER MOD Single : B 139 CYS SG : rot 180:sc= 0.175 USER MOD Single : B 143 SER OG : rot 180:sc= 0.0329 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.615 2.837 14.987 1.00 0.00 N ATOM 2 CA GLY A 1 -12.781 2.551 15.827 1.00 0.00 C ATOM 3 C GLY A 1 -13.861 3.557 15.638 1.00 0.00 C ATOM 4 O GLY A 1 -14.366 4.144 16.599 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.793 2.308 15.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.814 2.550 14.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.409 3.856 15.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.164 1.558 15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.479 2.535 16.874 1.00 0.00 H new ATOM 10 N VAL A 2 -14.210 3.796 14.404 1.00 0.00 N ATOM 11 CA VAL A 2 -15.249 4.720 14.082 1.00 0.00 C ATOM 12 C VAL A 2 -16.169 4.041 13.071 1.00 0.00 C ATOM 13 O VAL A 2 -15.707 3.606 12.014 1.00 0.00 O ATOM 14 CB VAL A 2 -14.673 6.025 13.448 1.00 0.00 C ATOM 15 CG1 VAL A 2 -15.754 7.047 13.300 1.00 0.00 C ATOM 16 CG2 VAL A 2 -13.519 6.602 14.259 1.00 0.00 C ATOM 0 H VAL A 2 -13.777 3.351 13.595 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.782 4.997 14.992 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.281 5.760 12.466 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.340 7.953 12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.540 6.654 12.655 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.171 7.280 14.280 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.153 7.509 13.777 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.865 6.840 15.265 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.713 5.871 14.316 1.00 0.00 H new ATOM 26 N ARG A 3 -17.434 3.973 13.355 1.00 0.00 N ATOM 27 CA ARG A 3 -18.348 3.310 12.467 1.00 0.00 C ATOM 28 C ARG A 3 -18.900 4.331 11.510 1.00 0.00 C ATOM 29 O ARG A 3 -19.575 5.287 11.892 1.00 0.00 O ATOM 30 CB ARG A 3 -19.472 2.480 13.169 1.00 0.00 C ATOM 31 CG ARG A 3 -20.509 3.258 13.971 1.00 0.00 C ATOM 32 CD ARG A 3 -20.025 3.635 15.350 1.00 0.00 C ATOM 33 NE ARG A 3 -20.928 4.588 15.982 1.00 0.00 N ATOM 34 CZ ARG A 3 -21.051 4.784 17.291 1.00 0.00 C ATOM 35 NH1 ARG A 3 -20.452 3.976 18.155 1.00 0.00 N ATOM 36 NH2 ARG A 3 -21.803 5.774 17.737 1.00 0.00 N ATOM 0 H ARG A 3 -17.860 4.367 14.194 1.00 0.00 H new ATOM 0 HA ARG A 3 -17.786 2.548 11.928 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.996 1.905 12.405 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.996 1.762 13.837 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.778 4.163 13.426 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -21.415 2.659 14.061 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.945 2.740 15.968 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.026 4.066 15.283 1.00 0.00 H new ATOM 0 HE ARG A 3 -21.515 5.152 15.368 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.890 3.195 17.817 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.553 4.136 19.157 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.286 6.384 17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.900 5.928 18.741 1.00 0.00 H new ATOM 50 N LYS A 4 -18.534 4.172 10.294 1.00 0.00 N ATOM 51 CA LYS A 4 -18.865 5.101 9.264 1.00 0.00 C ATOM 52 C LYS A 4 -19.626 4.383 8.204 1.00 0.00 C ATOM 53 O LYS A 4 -19.096 3.471 7.598 1.00 0.00 O ATOM 54 CB LYS A 4 -17.581 5.651 8.706 1.00 0.00 C ATOM 55 CG LYS A 4 -16.719 6.335 9.753 1.00 0.00 C ATOM 56 CD LYS A 4 -15.341 6.628 9.220 1.00 0.00 C ATOM 57 CE LYS A 4 -14.513 5.361 9.080 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.031 4.861 10.358 1.00 0.00 N ATOM 0 H LYS A 4 -17.983 3.376 9.972 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.476 5.918 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.013 4.840 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.812 6.363 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.194 7.264 10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.643 5.700 10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.422 7.119 8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.832 7.324 9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.114 4.591 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.662 5.558 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.545 3.953 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.367 5.547 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.835 4.726 11.003 1.00 0.00 H new ATOM 72 N GLY A 5 -20.842 4.823 7.967 1.00 0.00 N ATOM 73 CA GLY A 5 -21.788 4.150 7.076 1.00 0.00 C ATOM 74 C GLY A 5 -21.278 3.830 5.682 1.00 0.00 C ATOM 75 O GLY A 5 -21.777 2.897 5.029 1.00 0.00 O ATOM 0 H GLY A 5 -21.217 5.672 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.102 3.220 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.676 4.776 6.982 1.00 0.00 H new ATOM 79 N TRP A 6 -20.302 4.575 5.208 1.00 0.00 N ATOM 80 CA TRP A 6 -19.736 4.319 3.902 1.00 0.00 C ATOM 81 C TRP A 6 -18.995 2.985 3.851 1.00 0.00 C ATOM 82 O TRP A 6 -18.670 2.510 2.771 1.00 0.00 O ATOM 83 CB TRP A 6 -18.819 5.442 3.443 1.00 0.00 C ATOM 84 CG TRP A 6 -17.641 5.672 4.324 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.552 6.576 5.312 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.380 4.978 4.296 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.323 6.522 5.886 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.586 5.537 5.291 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.853 3.943 3.521 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.290 5.100 5.541 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.572 3.512 3.770 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.807 4.087 4.771 1.00 0.00 C ATOM 0 H TRP A 6 -19.885 5.361 5.707 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.580 4.268 3.214 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.466 5.218 2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.397 6.364 3.381 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.343 7.249 5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.000 7.123 6.644 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.443 3.488 2.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.688 5.548 6.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.155 2.712 3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.805 3.724 4.944 1.00 0.00 H new ATOM 103 N HIS A 7 -18.695 2.389 5.010 1.00 0.00 N ATOM 104 CA HIS A 7 -18.037 1.070 5.033 1.00 0.00 C ATOM 105 C HIS A 7 -18.849 -0.037 4.324 1.00 0.00 C ATOM 106 O HIS A 7 -18.322 -1.090 4.026 1.00 0.00 O ATOM 107 CB HIS A 7 -17.577 0.628 6.448 1.00 0.00 C ATOM 108 CG HIS A 7 -18.632 0.496 7.522 1.00 0.00 C ATOM 109 ND1 HIS A 7 -18.331 0.299 8.850 1.00 0.00 N ATOM 110 CD2 HIS A 7 -19.984 0.554 7.457 1.00 0.00 C ATOM 111 CE1 HIS A 7 -19.469 0.252 9.534 1.00 0.00 C ATOM 112 NE2 HIS A 7 -20.511 0.399 8.735 1.00 0.00 N ATOM 0 H HIS A 7 -18.891 2.786 5.929 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.130 1.213 4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.075 -0.335 6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.832 1.343 6.797 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.561 0.698 6.556 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.534 0.112 10.603 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.496 0.399 9.000 1.00 0.00 H new ATOM 120 N GLU A 8 -20.118 0.224 4.045 1.00 0.00 N ATOM 121 CA GLU A 8 -20.947 -0.717 3.300 1.00 0.00 C ATOM 122 C GLU A 8 -20.755 -0.523 1.799 1.00 0.00 C ATOM 123 O GLU A 8 -21.184 -1.343 0.984 1.00 0.00 O ATOM 124 CB GLU A 8 -22.412 -0.545 3.668 1.00 0.00 C ATOM 125 CG GLU A 8 -22.689 -0.847 5.116 1.00 0.00 C ATOM 126 CD GLU A 8 -24.143 -0.748 5.474 1.00 0.00 C ATOM 127 OE1 GLU A 8 -24.901 -1.715 5.201 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.560 0.276 6.052 1.00 0.00 O ATOM 0 H GLU A 8 -20.598 1.080 4.323 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.639 -1.729 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.719 0.478 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -23.018 -1.200 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.333 -1.851 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.120 -0.157 5.739 1.00 0.00 H new ATOM 135 N HIS A 9 -20.076 0.553 1.449 1.00 0.00 N ATOM 136 CA HIS A 9 -19.817 0.915 0.059 1.00 0.00 C ATOM 137 C HIS A 9 -18.462 0.398 -0.372 1.00 0.00 C ATOM 138 O HIS A 9 -17.990 0.678 -1.479 1.00 0.00 O ATOM 139 CB HIS A 9 -19.812 2.442 -0.128 1.00 0.00 C ATOM 140 CG HIS A 9 -21.138 3.129 -0.002 1.00 0.00 C ATOM 141 ND1 HIS A 9 -21.704 3.891 -0.999 1.00 0.00 N ATOM 142 CD2 HIS A 9 -21.985 3.214 1.054 1.00 0.00 C ATOM 143 CE1 HIS A 9 -22.838 4.405 -0.539 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.061 4.025 0.711 1.00 0.00 N ATOM 0 H HIS A 9 -19.683 1.209 2.124 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.611 0.472 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.131 2.875 0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.403 2.665 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.846 2.729 2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.493 5.048 -1.108 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.856 4.275 1.299 1.00 0.00 H new ATOM 152 N VAL A 10 -17.825 -0.308 0.499 1.00 0.00 N ATOM 153 CA VAL A 10 -16.518 -0.823 0.247 1.00 0.00 C ATOM 154 C VAL A 10 -16.454 -2.267 0.682 1.00 0.00 C ATOM 155 O VAL A 10 -16.822 -2.609 1.794 1.00 0.00 O ATOM 156 CB VAL A 10 -15.429 0.061 0.938 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.680 0.245 2.414 1.00 0.00 C ATOM 158 CG2 VAL A 10 -14.026 -0.445 0.673 1.00 0.00 C ATOM 0 H VAL A 10 -18.199 -0.548 1.417 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.309 -0.787 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.509 1.047 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.894 0.867 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.646 0.729 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.683 -0.727 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.305 0.202 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.928 -1.461 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.834 -0.440 -0.400 1.00 0.00 H new ATOM 168 N THR A 11 -16.053 -3.103 -0.211 1.00 0.00 N ATOM 169 CA THR A 11 -16.000 -4.498 0.049 1.00 0.00 C ATOM 170 C THR A 11 -14.596 -4.876 0.529 1.00 0.00 C ATOM 171 O THR A 11 -13.619 -4.146 0.259 1.00 0.00 O ATOM 172 CB THR A 11 -16.311 -5.253 -1.247 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.430 -4.621 -1.890 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.664 -6.698 -0.949 1.00 0.00 C ATOM 0 H THR A 11 -15.751 -2.836 -1.148 1.00 0.00 H new ATOM 0 HA THR A 11 -16.727 -4.759 0.818 1.00 0.00 H new ATOM 0 HB THR A 11 -15.433 -5.231 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.021 -5.306 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.882 -7.219 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.824 -7.182 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.540 -6.732 -0.301 1.00 0.00 H new ATOM 182 N GLN A 12 -14.505 -6.002 1.230 1.00 0.00 N ATOM 183 CA GLN A 12 -13.251 -6.572 1.697 1.00 0.00 C ATOM 184 C GLN A 12 -12.274 -6.708 0.535 1.00 0.00 C ATOM 185 O GLN A 12 -11.100 -6.395 0.654 1.00 0.00 O ATOM 186 CB GLN A 12 -13.506 -7.961 2.266 1.00 0.00 C ATOM 187 CG GLN A 12 -12.246 -8.675 2.718 1.00 0.00 C ATOM 188 CD GLN A 12 -12.197 -10.135 2.285 1.00 0.00 C ATOM 189 OE1 GLN A 12 -12.734 -10.450 1.121 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -11.630 -10.974 2.984 1.00 0.00 N flip ATOM 0 H GLN A 12 -15.321 -6.554 1.494 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.833 -5.916 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.189 -7.878 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.006 -8.567 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.377 -8.154 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.176 -8.622 3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.224 -10.702 3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.566 -11.942 2.668 1.00 0.00 H new ATOM 199 N ASP A 13 -12.790 -7.168 -0.578 1.00 0.00 N ATOM 200 CA ASP A 13 -12.016 -7.386 -1.789 1.00 0.00 C ATOM 201 C ASP A 13 -11.323 -6.121 -2.262 1.00 0.00 C ATOM 202 O ASP A 13 -10.157 -6.171 -2.648 1.00 0.00 O ATOM 203 CB ASP A 13 -12.903 -7.967 -2.894 1.00 0.00 C ATOM 204 CG ASP A 13 -13.472 -9.319 -2.529 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.251 -9.403 -1.557 1.00 0.00 O ATOM 206 OD2 ASP A 13 -13.114 -10.336 -3.180 1.00 0.00 O ATOM 0 H ASP A 13 -13.777 -7.408 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.234 -8.107 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.720 -7.276 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.322 -8.057 -3.812 1.00 0.00 H new ATOM 211 N LEU A 14 -11.998 -4.973 -2.114 1.00 0.00 N ATOM 212 CA LEU A 14 -11.473 -3.696 -2.598 1.00 0.00 C ATOM 213 C LEU A 14 -10.316 -3.313 -1.731 1.00 0.00 C ATOM 214 O LEU A 14 -9.213 -3.060 -2.198 1.00 0.00 O ATOM 215 CB LEU A 14 -12.597 -2.606 -2.540 1.00 0.00 C ATOM 216 CG LEU A 14 -12.297 -1.158 -3.051 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.487 -0.355 -2.061 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.583 -1.178 -4.383 1.00 0.00 C ATOM 0 H LEU A 14 -12.910 -4.906 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.142 -3.782 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.447 -2.983 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.920 -2.525 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.267 -0.675 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.306 0.642 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.036 -0.274 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.534 -0.853 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.390 -0.156 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.637 -1.711 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.206 -1.682 -5.122 1.00 0.00 H new ATOM 230 N ARG A 15 -10.566 -3.339 -0.463 1.00 0.00 N ATOM 231 CA ARG A 15 -9.599 -2.938 0.502 1.00 0.00 C ATOM 232 C ARG A 15 -8.398 -3.851 0.554 1.00 0.00 C ATOM 233 O ARG A 15 -7.272 -3.386 0.549 1.00 0.00 O ATOM 234 CB ARG A 15 -10.238 -2.751 1.843 1.00 0.00 C ATOM 235 CG ARG A 15 -11.041 -3.882 2.371 1.00 0.00 C ATOM 236 CD ARG A 15 -11.878 -3.384 3.491 1.00 0.00 C ATOM 237 NE ARG A 15 -11.034 -2.668 4.491 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.205 -2.651 5.813 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.264 -3.228 6.370 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.291 -2.050 6.575 1.00 0.00 N ATOM 0 H ARG A 15 -11.455 -3.642 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.206 -1.973 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.452 -2.528 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.882 -1.873 1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.670 -4.299 1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.387 -4.683 2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.648 -2.714 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.391 -4.218 3.969 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.244 -2.136 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.959 -3.692 5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.382 -3.207 7.383 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.476 -1.612 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.406 -2.028 7.588 1.00 0.00 H new ATOM 254 N SER A 16 -8.635 -5.143 0.522 1.00 0.00 N ATOM 255 CA SER A 16 -7.568 -6.108 0.567 1.00 0.00 C ATOM 256 C SER A 16 -6.749 -6.040 -0.743 1.00 0.00 C ATOM 257 O SER A 16 -5.564 -6.391 -0.776 1.00 0.00 O ATOM 258 CB SER A 16 -8.149 -7.511 0.821 1.00 0.00 C ATOM 259 OG SER A 16 -7.139 -8.500 0.996 1.00 0.00 O ATOM 0 H SER A 16 -9.569 -5.549 0.464 1.00 0.00 H new ATOM 0 HA SER A 16 -6.889 -5.881 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.782 -7.483 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.787 -7.793 -0.017 1.00 0.00 H new ATOM 0 HG SER A 16 -7.558 -9.371 1.155 1.00 0.00 H new ATOM 265 N HIS A 17 -7.385 -5.561 -1.812 1.00 0.00 N ATOM 266 CA HIS A 17 -6.716 -5.364 -3.097 1.00 0.00 C ATOM 267 C HIS A 17 -5.712 -4.212 -2.950 1.00 0.00 C ATOM 268 O HIS A 17 -4.554 -4.286 -3.405 1.00 0.00 O ATOM 269 CB HIS A 17 -7.775 -5.016 -4.166 1.00 0.00 C ATOM 270 CG HIS A 17 -7.315 -5.040 -5.583 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.491 -6.114 -6.414 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.707 -4.091 -6.320 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.991 -5.813 -7.603 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.498 -4.580 -7.607 1.00 0.00 N ATOM 0 H HIS A 17 -8.371 -5.300 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.190 -6.269 -3.401 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.606 -5.714 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.165 -4.022 -3.950 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.933 -6.997 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.427 -3.109 -5.969 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.985 -6.479 -8.453 1.00 0.00 H new ATOM 282 N LEU A 18 -6.170 -3.165 -2.310 1.00 0.00 N ATOM 283 CA LEU A 18 -5.364 -1.994 -2.024 1.00 0.00 C ATOM 284 C LEU A 18 -4.241 -2.352 -1.052 1.00 0.00 C ATOM 285 O LEU A 18 -3.108 -1.923 -1.232 1.00 0.00 O ATOM 286 CB LEU A 18 -6.262 -0.852 -1.501 1.00 0.00 C ATOM 287 CG LEU A 18 -7.028 0.003 -2.564 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.601 -0.826 -3.711 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.168 0.723 -1.904 1.00 0.00 C ATOM 0 H LEU A 18 -7.128 -3.097 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.891 -1.638 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.997 -1.285 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.641 -0.178 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.296 0.695 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.119 -0.170 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.791 -1.341 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.303 -1.560 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.701 1.318 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.851 -0.003 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.781 1.378 -1.123 1.00 0.00 H new ATOM 301 N VAL A 19 -4.567 -3.174 -0.058 1.00 0.00 N ATOM 302 CA VAL A 19 -3.588 -3.725 0.902 1.00 0.00 C ATOM 303 C VAL A 19 -2.456 -4.462 0.144 1.00 0.00 C ATOM 304 O VAL A 19 -1.267 -4.255 0.416 1.00 0.00 O ATOM 305 CB VAL A 19 -4.283 -4.741 1.873 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.288 -5.464 2.702 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.267 -4.067 2.790 1.00 0.00 C ATOM 0 H VAL A 19 -5.523 -3.485 0.114 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.174 -2.896 1.476 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.816 -5.447 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.803 -6.160 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.607 -6.016 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.722 -4.748 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.723 -4.810 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.750 -3.321 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.042 -3.580 2.198 1.00 0.00 H new ATOM 317 N HIS A 20 -2.855 -5.319 -0.786 1.00 0.00 N ATOM 318 CA HIS A 20 -1.936 -6.071 -1.644 1.00 0.00 C ATOM 319 C HIS A 20 -0.957 -5.119 -2.355 1.00 0.00 C ATOM 320 O HIS A 20 0.278 -5.300 -2.310 1.00 0.00 O ATOM 321 CB HIS A 20 -2.775 -6.889 -2.656 1.00 0.00 C ATOM 322 CG HIS A 20 -2.017 -7.491 -3.797 1.00 0.00 C ATOM 323 ND1 HIS A 20 -2.141 -7.051 -5.096 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.128 -8.508 -3.826 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.351 -7.783 -5.860 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.702 -8.696 -5.146 1.00 0.00 N ATOM 0 H HIS A 20 -3.838 -5.517 -0.972 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.333 -6.753 -1.045 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.279 -7.691 -2.116 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.552 -6.241 -3.062 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.741 -6.290 -5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.800 -9.081 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.246 -7.656 -6.927 1.00 0.00 H new ATOM 334 N LYS A 21 -1.509 -4.099 -2.972 1.00 0.00 N ATOM 335 CA LYS A 21 -0.715 -3.101 -3.660 1.00 0.00 C ATOM 336 C LYS A 21 0.173 -2.331 -2.704 1.00 0.00 C ATOM 337 O LYS A 21 1.331 -2.046 -3.032 1.00 0.00 O ATOM 338 CB LYS A 21 -1.604 -2.191 -4.485 1.00 0.00 C ATOM 339 CG LYS A 21 -2.065 -2.865 -5.753 1.00 0.00 C ATOM 340 CD LYS A 21 -3.194 -2.133 -6.428 1.00 0.00 C ATOM 341 CE LYS A 21 -3.664 -2.872 -7.679 1.00 0.00 C ATOM 342 NZ LYS A 21 -2.604 -3.021 -8.700 1.00 0.00 N ATOM 0 H LYS A 21 -2.515 -3.936 -3.012 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.044 -3.615 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.471 -1.895 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.061 -1.279 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.225 -2.943 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.384 -3.882 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.027 -2.024 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.869 -1.128 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.027 -3.860 -7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.507 -2.336 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.021 -3.374 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.156 -2.098 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.888 -3.695 -8.361 1.00 0.00 H new ATOM 356 N LEU A 22 -0.366 -2.010 -1.523 1.00 0.00 N ATOM 357 CA LEU A 22 0.388 -1.350 -0.464 1.00 0.00 C ATOM 358 C LEU A 22 1.676 -2.081 -0.198 1.00 0.00 C ATOM 359 O LEU A 22 2.736 -1.477 -0.279 1.00 0.00 O ATOM 360 CB LEU A 22 -0.447 -1.219 0.823 1.00 0.00 C ATOM 361 CG LEU A 22 -1.410 -0.031 0.894 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.377 -0.197 2.053 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.619 1.218 1.132 1.00 0.00 C ATOM 0 H LEU A 22 -1.338 -2.202 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 22 0.628 -0.342 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.025 -2.135 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.238 -1.154 1.669 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.966 0.024 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.054 0.657 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.954 -1.112 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.819 -0.255 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.294 2.072 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.073 1.129 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.087 1.363 0.314 1.00 0.00 H new ATOM 375 N VAL A 23 1.575 -3.389 0.055 1.00 0.00 N ATOM 376 CA VAL A 23 2.747 -4.250 0.266 1.00 0.00 C ATOM 377 C VAL A 23 3.708 -4.145 -0.900 1.00 0.00 C ATOM 378 O VAL A 23 4.861 -3.911 -0.688 1.00 0.00 O ATOM 379 CB VAL A 23 2.350 -5.742 0.439 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.587 -6.625 0.406 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.630 -5.939 1.739 1.00 0.00 C ATOM 0 H VAL A 23 0.684 -3.881 0.120 1.00 0.00 H new ATOM 0 HA VAL A 23 3.225 -3.902 1.182 1.00 0.00 H new ATOM 0 HB VAL A 23 1.690 -6.020 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.293 -7.668 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.097 -6.501 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.259 -6.340 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.357 -6.989 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.280 -5.645 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.728 -5.327 1.752 1.00 0.00 H new ATOM 391 N GLN A 24 3.213 -4.290 -2.124 1.00 0.00 N ATOM 392 CA GLN A 24 4.094 -4.256 -3.308 1.00 0.00 C ATOM 393 C GLN A 24 4.940 -2.983 -3.391 1.00 0.00 C ATOM 394 O GLN A 24 6.102 -3.031 -3.803 1.00 0.00 O ATOM 395 CB GLN A 24 3.318 -4.409 -4.598 1.00 0.00 C ATOM 396 CG GLN A 24 2.622 -5.729 -4.776 1.00 0.00 C ATOM 397 CD GLN A 24 1.958 -5.808 -6.125 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.511 -4.799 -6.681 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.935 -6.972 -6.691 1.00 0.00 N ATOM 0 H GLN A 24 2.224 -4.431 -2.331 1.00 0.00 H new ATOM 0 HA GLN A 24 4.764 -5.107 -3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.574 -3.614 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.002 -4.262 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.342 -6.541 -4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.877 -5.861 -3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.313 -7.784 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.539 -7.077 -7.625 1.00 0.00 H new ATOM 408 N ALA A 25 4.356 -1.855 -3.032 1.00 0.00 N ATOM 409 CA ALA A 25 5.078 -0.607 -3.062 1.00 0.00 C ATOM 410 C ALA A 25 5.952 -0.427 -1.824 1.00 0.00 C ATOM 411 O ALA A 25 7.090 -0.043 -1.928 1.00 0.00 O ATOM 412 CB ALA A 25 4.114 0.533 -3.166 1.00 0.00 C ATOM 0 H ALA A 25 3.388 -1.782 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 25 5.732 -0.623 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.664 1.474 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.529 0.433 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.446 0.524 -2.305 1.00 0.00 H new ATOM 418 N ILE A 26 5.416 -0.724 -0.659 1.00 0.00 N ATOM 419 CA ILE A 26 6.143 -0.479 0.586 1.00 0.00 C ATOM 420 C ILE A 26 7.232 -1.544 0.799 1.00 0.00 C ATOM 421 O ILE A 26 8.243 -1.307 1.457 1.00 0.00 O ATOM 422 CB ILE A 26 5.150 -0.385 1.804 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.804 0.214 3.083 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.526 -1.734 2.103 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.522 -0.778 3.985 1.00 0.00 C ATOM 0 H ILE A 26 4.489 -1.132 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 26 6.648 0.484 0.513 1.00 0.00 H new ATOM 0 HB ILE A 26 4.365 0.308 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.516 0.981 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.029 0.711 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.845 -1.640 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.975 -2.081 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.310 -2.451 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.939 -0.253 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.816 -1.534 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.326 -1.260 3.429 1.00 0.00 H new ATOM 437 N PHE A 27 7.017 -2.684 0.229 1.00 0.00 N ATOM 438 CA PHE A 27 7.918 -3.784 0.291 1.00 0.00 C ATOM 439 C PHE A 27 8.193 -4.295 -1.119 1.00 0.00 C ATOM 440 O PHE A 27 7.419 -5.101 -1.645 1.00 0.00 O ATOM 441 CB PHE A 27 7.338 -4.921 1.161 1.00 0.00 C ATOM 442 CG PHE A 27 7.321 -4.662 2.643 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.486 -4.698 3.385 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.132 -4.401 3.298 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.466 -4.468 4.749 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.103 -4.170 4.659 1.00 0.00 C ATOM 447 CZ PHE A 27 7.273 -4.202 5.385 1.00 0.00 C ATOM 0 H PHE A 27 6.176 -2.881 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 27 8.850 -3.448 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.318 -5.120 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.915 -5.827 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.424 -4.908 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.210 -4.377 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.385 -4.497 5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.165 -3.965 5.153 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.255 -4.019 6.449 1.00 0.00 H new ATOM 457 N PRO A 28 9.252 -3.778 -1.788 1.00 0.00 N ATOM 458 CA PRO A 28 9.632 -4.245 -3.117 1.00 0.00 C ATOM 459 C PRO A 28 10.033 -5.716 -3.063 1.00 0.00 C ATOM 460 O PRO A 28 11.144 -6.071 -2.646 1.00 0.00 O ATOM 461 CB PRO A 28 10.822 -3.354 -3.516 1.00 0.00 C ATOM 462 CG PRO A 28 11.309 -2.757 -2.237 1.00 0.00 C ATOM 463 CD PRO A 28 10.122 -2.688 -1.318 1.00 0.00 C ATOM 0 HA PRO A 28 8.818 -4.176 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.605 -3.936 -4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.516 -2.581 -4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.101 -3.366 -1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.726 -1.764 -2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.413 -2.829 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.622 -1.721 -1.381 1.00 0.00 H new ATOM 471 N THR A 29 9.098 -6.552 -3.403 1.00 0.00 N ATOM 472 CA THR A 29 9.265 -7.963 -3.312 1.00 0.00 C ATOM 473 C THR A 29 10.273 -8.483 -4.361 1.00 0.00 C ATOM 474 O THR A 29 10.306 -8.002 -5.508 1.00 0.00 O ATOM 475 CB THR A 29 7.884 -8.684 -3.416 1.00 0.00 C ATOM 476 OG1 THR A 29 8.012 -10.060 -3.072 1.00 0.00 O ATOM 477 CG2 THR A 29 7.273 -8.563 -4.812 1.00 0.00 C ATOM 0 H THR A 29 8.186 -6.264 -3.756 1.00 0.00 H new ATOM 0 HA THR A 29 9.687 -8.196 -2.334 1.00 0.00 H new ATOM 0 HB THR A 29 7.215 -8.189 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.109 -10.594 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.314 -9.080 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.124 -7.511 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.945 -9.012 -5.543 1.00 0.00 H new ATOM 485 N PRO A 30 11.151 -9.421 -3.959 1.00 0.00 N ATOM 486 CA PRO A 30 12.129 -10.022 -4.865 1.00 0.00 C ATOM 487 C PRO A 30 11.454 -10.968 -5.870 1.00 0.00 C ATOM 488 O PRO A 30 11.836 -11.039 -7.041 1.00 0.00 O ATOM 489 CB PRO A 30 13.058 -10.806 -3.919 1.00 0.00 C ATOM 490 CG PRO A 30 12.236 -11.085 -2.706 1.00 0.00 C ATOM 491 CD PRO A 30 11.287 -9.929 -2.571 1.00 0.00 C ATOM 0 HA PRO A 30 12.654 -9.280 -5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.402 -11.731 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.946 -10.225 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.693 -12.025 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.866 -11.178 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.326 -10.245 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.680 -9.164 -1.901 1.00 0.00 H new ATOM 499 N ASP A 31 10.419 -11.642 -5.407 1.00 0.00 N ATOM 500 CA ASP A 31 9.671 -12.606 -6.196 1.00 0.00 C ATOM 501 C ASP A 31 8.231 -12.493 -5.834 1.00 0.00 C ATOM 502 O ASP A 31 7.913 -12.143 -4.699 1.00 0.00 O ATOM 503 CB ASP A 31 10.099 -14.064 -5.900 1.00 0.00 C ATOM 504 CG ASP A 31 11.400 -14.491 -6.520 1.00 0.00 C ATOM 505 OD1 ASP A 31 11.389 -14.973 -7.672 1.00 0.00 O ATOM 506 OD2 ASP A 31 12.445 -14.428 -5.845 1.00 0.00 O ATOM 0 H ASP A 31 10.067 -11.534 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 31 9.860 -12.388 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.171 -14.192 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.313 -14.734 -6.248 1.00 0.00 H new ATOM 511 N PRO A 32 7.316 -12.793 -6.752 1.00 0.00 N ATOM 512 CA PRO A 32 5.892 -12.808 -6.449 1.00 0.00 C ATOM 513 C PRO A 32 5.525 -13.918 -5.449 1.00 0.00 C ATOM 514 O PRO A 32 4.445 -13.926 -4.873 1.00 0.00 O ATOM 515 CB PRO A 32 5.215 -13.046 -7.792 1.00 0.00 C ATOM 516 CG PRO A 32 6.270 -13.607 -8.681 1.00 0.00 C ATOM 517 CD PRO A 32 7.582 -13.084 -8.176 1.00 0.00 C ATOM 0 HA PRO A 32 5.576 -11.878 -5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.379 -13.738 -7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.814 -12.118 -8.198 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.254 -14.697 -8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.105 -13.305 -9.715 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.378 -13.819 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.892 -12.190 -8.717 1.00 0.00 H new ATOM 525 N ALA A 33 6.443 -14.836 -5.231 1.00 0.00 N ATOM 526 CA ALA A 33 6.221 -15.898 -4.283 1.00 0.00 C ATOM 527 C ALA A 33 6.612 -15.473 -2.870 1.00 0.00 C ATOM 528 O ALA A 33 6.291 -16.145 -1.903 1.00 0.00 O ATOM 529 CB ALA A 33 6.938 -17.163 -4.696 1.00 0.00 C ATOM 0 H ALA A 33 7.349 -14.865 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 33 5.153 -16.114 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.750 -17.945 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.572 -17.487 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.009 -16.971 -4.756 1.00 0.00 H new ATOM 535 N ALA A 34 7.260 -14.326 -2.740 1.00 0.00 N ATOM 536 CA ALA A 34 7.594 -13.808 -1.417 1.00 0.00 C ATOM 537 C ALA A 34 6.353 -13.154 -0.825 1.00 0.00 C ATOM 538 O ALA A 34 6.277 -12.839 0.361 1.00 0.00 O ATOM 539 CB ALA A 34 8.756 -12.831 -1.489 1.00 0.00 C ATOM 0 H ALA A 34 7.562 -13.742 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 34 7.913 -14.627 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.983 -12.461 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.632 -13.336 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.488 -11.994 -2.133 1.00 0.00 H new ATOM 545 N LEU A 35 5.352 -13.037 -1.673 1.00 0.00 N ATOM 546 CA LEU A 35 4.086 -12.448 -1.343 1.00 0.00 C ATOM 547 C LEU A 35 3.157 -13.499 -0.712 1.00 0.00 C ATOM 548 O LEU A 35 2.005 -13.224 -0.406 1.00 0.00 O ATOM 549 CB LEU A 35 3.462 -11.894 -2.611 1.00 0.00 C ATOM 550 CG LEU A 35 4.337 -10.907 -3.381 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.763 -10.636 -4.738 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.499 -9.616 -2.615 1.00 0.00 C ATOM 0 H LEU A 35 5.406 -13.361 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 35 4.232 -11.645 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.213 -12.726 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.525 -11.401 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 35 5.321 -11.359 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.402 -9.931 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.704 -11.568 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.764 -10.212 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.126 -8.931 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.521 -9.163 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.967 -9.821 -1.652 1.00 0.00 H new ATOM 564 N LYS A 36 3.664 -14.709 -0.553 1.00 0.00 N ATOM 565 CA LYS A 36 2.920 -15.793 0.092 1.00 0.00 C ATOM 566 C LYS A 36 3.837 -16.481 1.109 1.00 0.00 C ATOM 567 O LYS A 36 3.605 -17.616 1.544 1.00 0.00 O ATOM 568 CB LYS A 36 2.428 -16.795 -0.963 1.00 0.00 C ATOM 569 CG LYS A 36 3.545 -17.437 -1.760 1.00 0.00 C ATOM 570 CD LYS A 36 3.038 -18.464 -2.760 1.00 0.00 C ATOM 571 CE LYS A 36 2.218 -17.829 -3.864 1.00 0.00 C ATOM 572 NZ LYS A 36 1.635 -18.837 -4.772 1.00 0.00 N ATOM 0 H LYS A 36 4.599 -14.974 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 36 2.047 -15.392 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.851 -17.576 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.751 -16.285 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.099 -16.662 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.244 -17.917 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.885 -18.993 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.432 -19.207 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.419 -17.232 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.847 -17.147 -4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.082 -18.359 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.398 -19.390 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.014 -19.473 -4.232 1.00 0.00 H new ATOM 586 N ASP A 37 4.858 -15.761 1.487 1.00 0.00 N ATOM 587 CA ASP A 37 5.906 -16.246 2.375 1.00 0.00 C ATOM 588 C ASP A 37 5.626 -15.778 3.805 1.00 0.00 C ATOM 589 O ASP A 37 4.665 -15.049 4.040 1.00 0.00 O ATOM 590 CB ASP A 37 7.219 -15.650 1.884 1.00 0.00 C ATOM 591 CG ASP A 37 8.426 -16.075 2.630 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.954 -17.160 2.371 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.861 -15.320 3.485 1.00 0.00 O ATOM 0 H ASP A 37 4.997 -14.797 1.185 1.00 0.00 H new ATOM 0 HA ASP A 37 5.949 -17.335 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.349 -15.914 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.146 -14.564 1.932 1.00 0.00 H new ATOM 598 N ARG A 38 6.450 -16.181 4.747 1.00 0.00 N ATOM 599 CA ARG A 38 6.317 -15.768 6.119 1.00 0.00 C ATOM 600 C ARG A 38 6.640 -14.282 6.248 1.00 0.00 C ATOM 601 O ARG A 38 6.087 -13.596 7.086 1.00 0.00 O ATOM 602 CB ARG A 38 7.208 -16.623 7.044 1.00 0.00 C ATOM 603 CG ARG A 38 8.651 -16.124 7.320 1.00 0.00 C ATOM 604 CD ARG A 38 9.589 -16.296 6.146 1.00 0.00 C ATOM 605 NE ARG A 38 10.929 -15.764 6.436 1.00 0.00 N ATOM 606 CZ ARG A 38 11.722 -15.127 5.554 1.00 0.00 C ATOM 607 NH1 ARG A 38 11.299 -14.880 4.324 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.931 -14.735 5.921 1.00 0.00 N ATOM 0 H ARG A 38 7.236 -16.809 4.577 1.00 0.00 H new ATOM 0 HA ARG A 38 5.285 -15.923 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.698 -16.722 8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.275 -17.622 6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.615 -15.069 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.054 -16.662 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.665 -17.354 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.177 -15.788 5.274 1.00 0.00 H new ATOM 0 HE ARG A 38 11.287 -15.888 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.365 -15.173 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.907 -14.397 3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.260 -14.916 6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.535 -14.252 5.255 1.00 0.00 H new ATOM 622 N ARG A 39 7.505 -13.783 5.365 1.00 0.00 N ATOM 623 CA ARG A 39 7.887 -12.383 5.367 1.00 0.00 C ATOM 624 C ARG A 39 6.650 -11.534 5.055 1.00 0.00 C ATOM 625 O ARG A 39 6.443 -10.455 5.618 1.00 0.00 O ATOM 626 CB ARG A 39 8.975 -12.149 4.324 1.00 0.00 C ATOM 627 CG ARG A 39 9.614 -10.754 4.321 1.00 0.00 C ATOM 628 CD ARG A 39 10.591 -10.525 5.490 1.00 0.00 C ATOM 629 NE ARG A 39 9.954 -10.467 6.826 1.00 0.00 N ATOM 630 CZ ARG A 39 10.594 -10.104 7.959 1.00 0.00 C ATOM 631 NH1 ARG A 39 11.897 -9.778 7.933 1.00 0.00 N ATOM 632 NH2 ARG A 39 9.931 -10.087 9.109 1.00 0.00 N ATOM 0 H ARG A 39 7.954 -14.338 4.636 1.00 0.00 H new ATOM 0 HA ARG A 39 8.279 -12.100 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.762 -12.887 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.551 -12.335 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.145 -10.608 3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.826 -10.002 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.331 -11.325 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.130 -9.593 5.318 1.00 0.00 H new ATOM 0 HE ARG A 39 8.968 -10.718 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.412 -9.803 7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.372 -9.505 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.945 -10.347 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.408 -9.814 9.968 1.00 0.00 H new ATOM 646 N MET A 40 5.808 -12.094 4.212 1.00 0.00 N ATOM 647 CA MET A 40 4.547 -11.503 3.783 1.00 0.00 C ATOM 648 C MET A 40 3.607 -11.212 4.947 1.00 0.00 C ATOM 649 O MET A 40 2.913 -10.235 4.900 1.00 0.00 O ATOM 650 CB MET A 40 3.886 -12.402 2.704 1.00 0.00 C ATOM 651 CG MET A 40 2.347 -12.351 2.548 1.00 0.00 C ATOM 652 SD MET A 40 1.621 -10.710 2.265 1.00 0.00 S ATOM 653 CE MET A 40 2.599 -10.077 0.930 1.00 0.00 C ATOM 0 H MET A 40 5.984 -13.005 3.789 1.00 0.00 H new ATOM 0 HA MET A 40 4.764 -10.532 3.339 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.326 -12.144 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.165 -13.434 2.915 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.066 -12.998 1.717 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.898 -12.774 3.447 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.155 -9.153 0.560 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.611 -9.878 1.283 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.633 -10.811 0.125 1.00 0.00 H new ATOM 663 N GLU A 41 3.620 -12.013 6.012 1.00 0.00 N ATOM 664 CA GLU A 41 2.689 -11.738 7.113 1.00 0.00 C ATOM 665 C GLU A 41 3.025 -10.388 7.753 1.00 0.00 C ATOM 666 O GLU A 41 2.148 -9.677 8.169 1.00 0.00 O ATOM 667 CB GLU A 41 2.640 -12.855 8.167 1.00 0.00 C ATOM 668 CG GLU A 41 3.849 -12.946 9.059 1.00 0.00 C ATOM 669 CD GLU A 41 3.767 -14.100 10.023 1.00 0.00 C ATOM 670 OE1 GLU A 41 4.174 -15.227 9.677 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.292 -13.899 11.166 1.00 0.00 O ATOM 0 H GLU A 41 4.231 -12.820 6.138 1.00 0.00 H new ATOM 0 HA GLU A 41 1.689 -11.698 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.758 -12.706 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.512 -13.809 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.743 -13.053 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.955 -12.016 9.618 1.00 0.00 H new ATOM 678 N ASN A 42 4.314 -10.032 7.741 1.00 0.00 N ATOM 679 CA ASN A 42 4.777 -8.730 8.237 1.00 0.00 C ATOM 680 C ASN A 42 4.376 -7.668 7.256 1.00 0.00 C ATOM 681 O ASN A 42 3.849 -6.615 7.624 1.00 0.00 O ATOM 682 CB ASN A 42 6.314 -8.722 8.395 1.00 0.00 C ATOM 683 CG ASN A 42 6.904 -7.309 8.414 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.331 -6.839 7.252 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.998 -6.673 9.451 1.00 0.00 N flip ATOM 0 H ASN A 42 5.061 -10.632 7.391 1.00 0.00 H new ATOM 0 HA ASN A 42 4.326 -8.540 9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.582 -9.234 9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.761 -9.286 7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.657 -7.071 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.418 -5.743 9.443 1.00 0.00 H new ATOM 692 N LEU A 43 4.630 -7.978 5.997 1.00 0.00 N ATOM 693 CA LEU A 43 4.321 -7.108 4.877 1.00 0.00 C ATOM 694 C LEU A 43 2.862 -6.686 4.910 1.00 0.00 C ATOM 695 O LEU A 43 2.529 -5.490 4.963 1.00 0.00 O ATOM 696 CB LEU A 43 4.591 -7.851 3.555 1.00 0.00 C ATOM 697 CG LEU A 43 6.023 -7.883 2.970 1.00 0.00 C ATOM 698 CD1 LEU A 43 7.092 -7.947 4.006 1.00 0.00 C ATOM 699 CD2 LEU A 43 6.214 -8.995 1.942 1.00 0.00 C ATOM 0 H LEU A 43 5.065 -8.858 5.720 1.00 0.00 H new ATOM 0 HA LEU A 43 4.952 -6.222 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.272 -8.884 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.940 -7.414 2.798 1.00 0.00 H new ATOM 0 HG LEU A 43 6.129 -6.925 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.068 -7.966 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.025 -7.072 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.966 -8.850 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.236 -8.970 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.023 -9.960 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.519 -8.849 1.115 1.00 0.00 H new ATOM 711 N VAL A 44 2.008 -7.674 4.932 1.00 0.00 N ATOM 712 CA VAL A 44 0.605 -7.473 4.879 1.00 0.00 C ATOM 713 C VAL A 44 0.093 -6.925 6.203 1.00 0.00 C ATOM 714 O VAL A 44 -0.871 -6.194 6.217 1.00 0.00 O ATOM 715 CB VAL A 44 -0.144 -8.771 4.462 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.296 -9.785 5.591 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.452 -8.465 3.780 1.00 0.00 C ATOM 0 H VAL A 44 2.284 -8.654 4.988 1.00 0.00 H new ATOM 0 HA VAL A 44 0.399 -6.730 4.108 1.00 0.00 H new ATOM 0 HB VAL A 44 0.497 -9.262 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.828 -10.662 5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.690 -10.082 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.859 -9.336 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.945 -9.397 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.093 -7.902 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.265 -7.874 2.883 1.00 0.00 H new ATOM 727 N ALA A 45 0.770 -7.261 7.307 1.00 0.00 N ATOM 728 CA ALA A 45 0.397 -6.744 8.628 1.00 0.00 C ATOM 729 C ALA A 45 0.479 -5.223 8.619 1.00 0.00 C ATOM 730 O ALA A 45 -0.460 -4.535 9.032 1.00 0.00 O ATOM 731 CB ALA A 45 1.287 -7.326 9.731 1.00 0.00 C ATOM 0 H ALA A 45 1.576 -7.886 7.312 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.627 -7.051 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.982 -6.921 10.696 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.187 -8.411 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.326 -7.060 9.538 1.00 0.00 H new ATOM 737 N TYR A 46 1.591 -4.706 8.099 1.00 0.00 N ATOM 738 CA TYR A 46 1.769 -3.270 7.925 1.00 0.00 C ATOM 739 C TYR A 46 0.712 -2.723 6.988 1.00 0.00 C ATOM 740 O TYR A 46 0.116 -1.687 7.258 1.00 0.00 O ATOM 741 CB TYR A 46 3.197 -2.934 7.377 1.00 0.00 C ATOM 742 CG TYR A 46 3.299 -1.552 6.701 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.915 -1.392 5.368 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.716 -0.422 7.386 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.945 -0.176 4.752 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.742 0.816 6.756 1.00 0.00 C ATOM 747 CZ TYR A 46 3.354 0.922 5.442 1.00 0.00 C ATOM 748 OH TYR A 46 3.359 2.144 4.819 1.00 0.00 O ATOM 0 H TYR A 46 2.385 -5.266 7.790 1.00 0.00 H new ATOM 0 HA TYR A 46 1.663 -2.799 8.902 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.911 -2.978 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.490 -3.701 6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.585 -2.255 4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.023 -0.504 8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.645 -0.085 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.066 1.692 7.297 1.00 0.00 H new ATOM 0 HH TYR A 46 3.676 2.829 5.444 1.00 0.00 H new ATOM 758 N ALA A 47 0.506 -3.395 5.882 1.00 0.00 N ATOM 759 CA ALA A 47 -0.435 -2.924 4.894 1.00 0.00 C ATOM 760 C ALA A 47 -1.830 -2.804 5.478 1.00 0.00 C ATOM 761 O ALA A 47 -2.477 -1.799 5.309 1.00 0.00 O ATOM 762 CB ALA A 47 -0.412 -3.808 3.682 1.00 0.00 C ATOM 0 H ALA A 47 0.976 -4.268 5.643 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.133 -1.924 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.128 -3.438 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.588 -3.804 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.680 -4.825 3.968 1.00 0.00 H new ATOM 768 N LYS A 48 -2.234 -3.809 6.226 1.00 0.00 N ATOM 769 CA LYS A 48 -3.530 -3.838 6.899 1.00 0.00 C ATOM 770 C LYS A 48 -3.659 -2.725 7.924 1.00 0.00 C ATOM 771 O LYS A 48 -4.685 -2.039 7.976 1.00 0.00 O ATOM 772 CB LYS A 48 -3.702 -5.164 7.604 1.00 0.00 C ATOM 773 CG LYS A 48 -3.883 -6.347 6.677 1.00 0.00 C ATOM 774 CD LYS A 48 -3.785 -7.641 7.452 1.00 0.00 C ATOM 775 CE LYS A 48 -4.096 -8.848 6.590 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.481 -8.825 6.074 1.00 0.00 N ATOM 0 H LYS A 48 -1.670 -4.643 6.390 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.299 -3.699 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.831 -5.342 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.566 -5.101 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.852 -6.284 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.123 -6.325 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.781 -7.740 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.475 -7.611 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.399 -8.883 5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.942 -9.757 7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.732 -9.767 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.133 -8.564 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.554 -8.128 5.306 1.00 0.00 H new ATOM 790 N LYS A 49 -2.628 -2.552 8.738 1.00 0.00 N ATOM 791 CA LYS A 49 -2.653 -1.551 9.789 1.00 0.00 C ATOM 792 C LYS A 49 -2.757 -0.134 9.187 1.00 0.00 C ATOM 793 O LYS A 49 -3.567 0.699 9.631 1.00 0.00 O ATOM 794 CB LYS A 49 -1.431 -1.713 10.739 1.00 0.00 C ATOM 795 CG LYS A 49 -0.099 -1.364 10.189 1.00 0.00 C ATOM 796 CD LYS A 49 0.999 -1.668 11.200 1.00 0.00 C ATOM 797 CE LYS A 49 2.316 -1.021 10.815 1.00 0.00 C ATOM 798 NZ LYS A 49 2.251 0.459 10.878 1.00 0.00 N ATOM 0 H LYS A 49 -1.765 -3.093 8.689 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.543 -1.702 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.605 -1.098 11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.398 -2.750 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.079 -1.925 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.075 -0.307 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.694 -1.314 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.133 -2.747 11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.102 -1.377 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.589 -1.329 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.215 0.847 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.775 0.822 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.718 0.747 11.723 1.00 0.00 H new ATOM 812 N VAL A 50 -2.006 0.082 8.122 1.00 0.00 N ATOM 813 CA VAL A 50 -1.975 1.347 7.417 1.00 0.00 C ATOM 814 C VAL A 50 -3.279 1.588 6.668 1.00 0.00 C ATOM 815 O VAL A 50 -3.844 2.683 6.732 1.00 0.00 O ATOM 816 CB VAL A 50 -0.751 1.399 6.463 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.811 2.571 5.503 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.497 1.499 7.290 1.00 0.00 C ATOM 0 H VAL A 50 -1.393 -0.627 7.719 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.870 2.150 8.147 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.755 0.489 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.069 2.560 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.710 2.494 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.835 3.503 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.366 1.536 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.460 2.404 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.572 0.629 7.942 1.00 0.00 H new ATOM 828 N GLU A 51 -3.763 0.545 6.012 1.00 0.00 N ATOM 829 CA GLU A 51 -5.018 0.574 5.276 1.00 0.00 C ATOM 830 C GLU A 51 -6.122 0.946 6.238 1.00 0.00 C ATOM 831 O GLU A 51 -6.919 1.826 5.956 1.00 0.00 O ATOM 832 CB GLU A 51 -5.248 -0.809 4.617 1.00 0.00 C ATOM 833 CG GLU A 51 -6.479 -0.977 3.721 1.00 0.00 C ATOM 834 CD GLU A 51 -7.794 -1.201 4.495 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.756 -1.749 5.617 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.879 -0.907 3.972 1.00 0.00 O ATOM 0 H GLU A 51 -3.289 -0.358 5.975 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.999 1.316 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.366 -1.048 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.308 -1.553 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.584 -0.090 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.315 -1.821 3.051 1.00 0.00 H new ATOM 843 N GLY A 52 -6.090 0.321 7.414 1.00 0.00 N ATOM 844 CA GLY A 52 -7.048 0.591 8.455 1.00 0.00 C ATOM 845 C GLY A 52 -7.040 2.035 8.873 1.00 0.00 C ATOM 846 O GLY A 52 -8.093 2.634 9.037 1.00 0.00 O ATOM 0 H GLY A 52 -5.395 -0.384 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.045 0.320 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.830 -0.037 9.319 1.00 0.00 H new ATOM 850 N ASP A 53 -5.854 2.603 9.007 1.00 0.00 N ATOM 851 CA ASP A 53 -5.712 4.010 9.391 1.00 0.00 C ATOM 852 C ASP A 53 -6.390 4.924 8.406 1.00 0.00 C ATOM 853 O ASP A 53 -7.253 5.689 8.784 1.00 0.00 O ATOM 854 CB ASP A 53 -4.256 4.398 9.522 1.00 0.00 C ATOM 855 CG ASP A 53 -4.091 5.837 10.018 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.206 6.085 11.241 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.850 6.745 9.191 1.00 0.00 O ATOM 0 H ASP A 53 -4.970 2.117 8.857 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.197 4.123 10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.760 3.717 10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.763 4.288 8.556 1.00 0.00 H new ATOM 862 N MET A 54 -6.041 4.804 7.147 1.00 0.00 N ATOM 863 CA MET A 54 -6.642 5.639 6.086 1.00 0.00 C ATOM 864 C MET A 54 -8.107 5.342 5.866 1.00 0.00 C ATOM 865 O MET A 54 -8.876 6.229 5.516 1.00 0.00 O ATOM 866 CB MET A 54 -5.842 5.590 4.779 1.00 0.00 C ATOM 867 CG MET A 54 -5.294 4.249 4.400 1.00 0.00 C ATOM 868 SD MET A 54 -3.579 4.382 3.808 1.00 0.00 S ATOM 869 CE MET A 54 -2.810 5.331 5.136 1.00 0.00 C ATOM 0 H MET A 54 -5.343 4.139 6.813 1.00 0.00 H new ATOM 0 HA MET A 54 -6.589 6.666 6.448 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.482 5.942 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.012 6.292 4.857 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.334 3.581 5.260 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.916 3.805 3.623 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.725 5.263 5.051 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.116 6.375 5.062 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.124 4.929 6.099 1.00 0.00 H new ATOM 879 N TYR A 55 -8.491 4.116 6.107 1.00 0.00 N ATOM 880 CA TYR A 55 -9.860 3.692 6.008 1.00 0.00 C ATOM 881 C TYR A 55 -10.667 4.417 7.091 1.00 0.00 C ATOM 882 O TYR A 55 -11.647 5.065 6.811 1.00 0.00 O ATOM 883 CB TYR A 55 -9.888 2.180 6.223 1.00 0.00 C ATOM 884 CG TYR A 55 -11.200 1.499 6.040 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.595 1.033 4.798 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.022 1.275 7.115 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.778 0.359 4.639 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.212 0.611 6.968 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.584 0.152 5.729 1.00 0.00 C ATOM 890 OH TYR A 55 -14.759 -0.536 5.591 1.00 0.00 O ATOM 0 H TYR A 55 -7.849 3.373 6.382 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.293 3.927 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.172 1.726 5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.537 1.974 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.961 1.203 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.727 1.627 8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.072 -0.005 3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.853 0.450 7.822 1.00 0.00 H new ATOM 0 HH TYR A 55 -14.964 -1.004 6.427 1.00 0.00 H new ATOM 900 N GLU A 56 -10.183 4.358 8.317 1.00 0.00 N ATOM 901 CA GLU A 56 -10.841 5.008 9.447 1.00 0.00 C ATOM 902 C GLU A 56 -10.755 6.529 9.363 1.00 0.00 C ATOM 903 O GLU A 56 -11.604 7.239 9.911 1.00 0.00 O ATOM 904 CB GLU A 56 -10.257 4.506 10.765 1.00 0.00 C ATOM 905 CG GLU A 56 -10.572 3.049 11.042 1.00 0.00 C ATOM 906 CD GLU A 56 -12.026 2.823 11.312 1.00 0.00 C ATOM 907 OE1 GLU A 56 -12.470 2.982 12.463 1.00 0.00 O ATOM 908 OE2 GLU A 56 -12.783 2.534 10.369 1.00 0.00 O ATOM 0 H GLU A 56 -9.326 3.862 8.563 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.898 4.743 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.175 4.641 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.643 5.116 11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.265 2.445 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.989 2.710 11.898 1.00 0.00 H new ATOM 915 N SER A 57 -9.753 6.995 8.675 1.00 0.00 N ATOM 916 CA SER A 57 -9.479 8.403 8.480 1.00 0.00 C ATOM 917 C SER A 57 -10.357 9.052 7.401 1.00 0.00 C ATOM 918 O SER A 57 -10.600 10.268 7.430 1.00 0.00 O ATOM 919 CB SER A 57 -8.019 8.531 8.105 1.00 0.00 C ATOM 920 OG SER A 57 -7.181 8.298 9.216 1.00 0.00 O ATOM 0 H SER A 57 -9.075 6.388 8.214 1.00 0.00 H new ATOM 0 HA SER A 57 -9.710 8.931 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.781 7.821 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.830 9.528 7.707 1.00 0.00 H new ATOM 0 HG SER A 57 -6.907 7.357 9.227 1.00 0.00 H new ATOM 926 N ALA A 58 -10.800 8.278 6.456 1.00 0.00 N ATOM 927 CA ALA A 58 -11.586 8.805 5.359 1.00 0.00 C ATOM 928 C ALA A 58 -13.074 8.839 5.656 1.00 0.00 C ATOM 929 O ALA A 58 -13.560 8.178 6.581 1.00 0.00 O ATOM 930 CB ALA A 58 -11.343 8.017 4.125 1.00 0.00 C ATOM 0 H ALA A 58 -10.634 7.272 6.415 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.262 9.836 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.940 8.425 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.286 8.069 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.624 6.978 4.296 1.00 0.00 H new ATOM 936 N ASN A 59 -13.793 9.618 4.864 1.00 0.00 N ATOM 937 CA ASN A 59 -15.235 9.747 5.013 1.00 0.00 C ATOM 938 C ASN A 59 -15.959 9.092 3.830 1.00 0.00 C ATOM 939 O ASN A 59 -17.183 9.191 3.691 1.00 0.00 O ATOM 940 CB ASN A 59 -15.641 11.229 5.190 1.00 0.00 C ATOM 941 CG ASN A 59 -15.795 12.036 3.898 1.00 0.00 C ATOM 942 OD1 ASN A 59 -16.889 12.134 3.338 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.729 12.608 3.419 1.00 0.00 N ATOM 0 H ASN A 59 -13.399 10.175 4.106 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.540 9.220 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.585 11.265 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.894 11.719 5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.786 13.154 2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.837 12.510 3.903 1.00 0.00 H new ATOM 950 N SER A 60 -15.195 8.404 3.014 1.00 0.00 N ATOM 951 CA SER A 60 -15.700 7.623 1.910 1.00 0.00 C ATOM 952 C SER A 60 -14.627 6.677 1.503 1.00 0.00 C ATOM 953 O SER A 60 -13.447 6.914 1.801 1.00 0.00 O ATOM 954 CB SER A 60 -16.102 8.493 0.721 1.00 0.00 C ATOM 955 OG SER A 60 -15.011 9.265 0.244 1.00 0.00 O ATOM 0 H SER A 60 -14.179 8.371 3.102 1.00 0.00 H new ATOM 0 HA SER A 60 -16.599 7.095 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.479 7.860 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.917 9.156 1.014 1.00 0.00 H new ATOM 0 HG SER A 60 -15.303 9.808 -0.518 1.00 0.00 H new ATOM 961 N ARG A 61 -14.988 5.599 0.845 1.00 0.00 N ATOM 962 CA ARG A 61 -13.967 4.671 0.408 1.00 0.00 C ATOM 963 C ARG A 61 -13.180 5.265 -0.737 1.00 0.00 C ATOM 964 O ARG A 61 -12.037 4.952 -0.927 1.00 0.00 O ATOM 965 CB ARG A 61 -14.486 3.266 0.058 1.00 0.00 C ATOM 966 CG ARG A 61 -15.315 3.118 -1.210 1.00 0.00 C ATOM 967 CD ARG A 61 -16.569 3.879 -1.156 1.00 0.00 C ATOM 968 NE ARG A 61 -17.444 3.513 -2.279 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.007 4.383 -3.145 1.00 0.00 C ATOM 970 NH1 ARG A 61 -17.972 5.691 -2.906 1.00 0.00 N ATOM 971 NH2 ARG A 61 -18.664 3.934 -4.204 1.00 0.00 N ATOM 0 H ARG A 61 -15.947 5.347 0.606 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.312 4.519 1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.626 2.601 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.086 2.911 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.728 3.453 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.541 2.064 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.079 3.684 -0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.354 4.947 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.642 2.522 -2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.518 6.044 -2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.400 6.341 -3.565 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.745 2.930 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.089 4.592 -4.857 1.00 0.00 H new ATOM 985 N ASP A 62 -13.823 6.156 -1.465 1.00 0.00 N ATOM 986 CA ASP A 62 -13.195 6.877 -2.559 1.00 0.00 C ATOM 987 C ASP A 62 -12.090 7.765 -2.013 1.00 0.00 C ATOM 988 O ASP A 62 -10.989 7.761 -2.522 1.00 0.00 O ATOM 989 CB ASP A 62 -14.247 7.693 -3.304 1.00 0.00 C ATOM 990 CG ASP A 62 -13.658 8.720 -4.259 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.124 8.345 -5.316 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.745 9.932 -3.959 1.00 0.00 O ATOM 0 H ASP A 62 -14.801 6.403 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.750 6.174 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -14.890 7.015 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.879 8.205 -2.578 1.00 0.00 H new ATOM 997 N GLU A 63 -12.387 8.474 -0.926 1.00 0.00 N ATOM 998 CA GLU A 63 -11.394 9.295 -0.252 1.00 0.00 C ATOM 999 C GLU A 63 -10.262 8.439 0.302 1.00 0.00 C ATOM 1000 O GLU A 63 -9.086 8.760 0.114 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.045 10.150 0.855 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.060 10.811 1.816 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.682 11.855 2.678 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -11.744 13.018 2.253 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.123 11.536 3.802 1.00 0.00 O ATOM 0 H GLU A 63 -13.311 8.494 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.964 9.976 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.650 10.926 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.724 9.520 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.614 10.045 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.250 11.260 1.242 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.616 7.325 0.933 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.637 6.463 1.552 1.00 0.00 C ATOM 1014 C TYR A 64 -8.729 5.841 0.503 1.00 0.00 C ATOM 1015 O TYR A 64 -7.509 5.883 0.636 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.343 5.431 2.479 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.047 3.993 2.245 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -8.961 3.385 2.825 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.863 3.246 1.437 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.698 2.071 2.602 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.611 1.936 1.197 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.522 1.349 1.784 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.253 0.050 1.553 1.00 0.00 O ATOM 0 H TYR A 64 -11.580 7.004 1.025 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.979 7.047 2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.079 5.667 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.420 5.574 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.308 3.958 3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.725 3.711 0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.845 1.600 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.260 1.363 0.552 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.864 -0.352 2.358 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.337 5.335 -0.556 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.625 4.750 -1.662 1.00 0.00 C ATOM 1035 C TYR A 65 -7.738 5.782 -2.320 1.00 0.00 C ATOM 1036 O TYR A 65 -6.577 5.520 -2.532 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.631 4.083 -2.648 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.139 3.726 -4.049 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.839 3.292 -4.317 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.007 3.845 -5.108 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.444 2.996 -5.607 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.627 3.552 -6.388 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.345 3.130 -6.641 1.00 0.00 C ATOM 1044 OH TYR A 65 -7.962 2.832 -7.931 1.00 0.00 O ATOM 0 H TYR A 65 -10.351 5.322 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.964 3.960 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.998 3.169 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.485 4.752 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.134 3.187 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.017 4.179 -4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.436 2.662 -5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.334 3.652 -7.199 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.907 3.658 -8.455 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.261 6.972 -2.542 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.507 8.015 -3.216 1.00 0.00 C ATOM 1056 C HIS A 66 -6.304 8.462 -2.385 1.00 0.00 C ATOM 1057 O HIS A 66 -5.212 8.544 -2.898 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.403 9.215 -3.559 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.758 10.233 -4.481 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -8.035 10.340 -5.825 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -6.856 11.203 -4.220 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.322 11.338 -6.323 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.582 11.908 -5.387 1.00 0.00 N ATOM 0 H HIS A 66 -9.205 7.242 -2.266 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.132 7.592 -4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.318 8.849 -4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.693 9.713 -2.634 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.681 9.750 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.415 11.401 -3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.342 11.646 -7.358 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.496 8.718 -1.101 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.394 9.214 -0.275 1.00 0.00 C ATOM 1073 C LEU A 67 -4.333 8.121 -0.031 1.00 0.00 C ATOM 1074 O LEU A 67 -3.111 8.402 0.027 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.918 9.879 1.039 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.564 8.983 2.110 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.527 8.366 3.003 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.576 9.740 2.939 1.00 0.00 C ATOM 0 H LEU A 67 -7.382 8.596 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.885 10.004 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.080 10.399 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.648 10.638 0.758 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.087 8.187 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.016 7.739 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.848 7.757 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.963 9.153 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.009 9.072 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.085 10.573 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.365 10.121 2.291 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.784 6.869 0.058 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.858 5.776 0.256 1.00 0.00 C ATOM 1092 C LEU A 68 -3.116 5.547 -1.042 1.00 0.00 C ATOM 1093 O LEU A 68 -1.927 5.205 -1.049 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.583 4.502 0.778 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.215 3.497 -0.187 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.167 2.551 -0.748 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.263 2.712 0.540 1.00 0.00 C ATOM 0 H LEU A 68 -5.766 6.599 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.134 6.028 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.863 3.952 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.373 4.838 1.449 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.663 4.042 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.641 1.846 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.410 3.123 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.696 2.004 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.718 1.994 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.806 2.181 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.029 3.390 0.917 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.826 5.778 -2.140 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.265 5.696 -3.447 1.00 0.00 C ATOM 1111 C ALA A 69 -2.199 6.752 -3.588 1.00 0.00 C ATOM 1112 O ALA A 69 -1.145 6.476 -4.048 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.333 5.864 -4.500 1.00 0.00 C ATOM 0 H ALA A 69 -4.815 6.028 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.819 4.712 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.882 5.798 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.080 5.078 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.810 6.837 -4.383 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.474 7.934 -3.087 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.526 9.056 -3.136 1.00 0.00 C ATOM 1121 C GLU A 70 -0.214 8.696 -2.477 1.00 0.00 C ATOM 1122 O GLU A 70 0.880 8.924 -3.035 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.114 10.261 -2.431 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.246 10.895 -3.172 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.774 11.594 -4.409 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.126 12.661 -4.287 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.047 11.124 -5.523 1.00 0.00 O ATOM 0 H GLU A 70 -3.358 8.159 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.341 9.287 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.461 9.959 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.329 11.002 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.977 10.133 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.753 11.608 -2.522 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.305 8.119 -1.301 1.00 0.00 N ATOM 1135 CA LYS A 71 0.883 7.775 -0.577 1.00 0.00 C ATOM 1136 C LYS A 71 1.645 6.601 -1.241 1.00 0.00 C ATOM 1137 O LYS A 71 2.872 6.622 -1.328 1.00 0.00 O ATOM 1138 CB LYS A 71 0.581 7.563 0.930 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.236 6.328 1.307 1.00 0.00 C ATOM 1140 CD LYS A 71 0.641 5.087 1.491 1.00 0.00 C ATOM 1141 CE LYS A 71 1.343 5.028 2.862 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.175 6.230 3.215 1.00 0.00 N ATOM 0 H LYS A 71 -1.181 7.883 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 71 1.570 8.620 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.531 7.516 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.053 8.443 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.783 6.524 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.978 6.135 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.026 4.196 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.395 5.065 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.585 4.893 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.982 4.146 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.710 6.038 4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.838 6.433 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.554 7.051 3.364 1.00 0.00 H new ATOM 1156 N ILE A 72 0.925 5.618 -1.758 1.00 0.00 N ATOM 1157 CA ILE A 72 1.578 4.469 -2.384 1.00 0.00 C ATOM 1158 C ILE A 72 2.240 4.900 -3.696 1.00 0.00 C ATOM 1159 O ILE A 72 3.335 4.483 -4.029 1.00 0.00 O ATOM 1160 CB ILE A 72 0.580 3.281 -2.629 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.288 2.063 -3.111 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.510 3.624 -3.565 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.375 0.909 -3.410 1.00 0.00 C ATOM 0 H ILE A 72 -0.095 5.587 -1.760 1.00 0.00 H new ATOM 0 HA ILE A 72 2.341 4.104 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 72 0.128 3.075 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.849 2.313 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.014 1.754 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.165 2.762 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.084 4.460 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.087 3.904 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.964 0.059 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.168 0.631 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.335 1.198 -4.185 1.00 0.00 H new ATOM 1175 N TYR A 73 1.572 5.789 -4.357 1.00 0.00 N ATOM 1176 CA TYR A 73 1.931 6.366 -5.636 1.00 0.00 C ATOM 1177 C TYR A 73 3.297 7.043 -5.534 1.00 0.00 C ATOM 1178 O TYR A 73 4.278 6.677 -6.269 1.00 0.00 O ATOM 1179 CB TYR A 73 0.830 7.400 -5.861 1.00 0.00 C ATOM 1180 CG TYR A 73 0.691 8.123 -7.136 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.558 9.107 -7.486 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -0.394 7.867 -7.952 1.00 0.00 C ATOM 1183 CE1 TYR A 73 1.360 9.828 -8.638 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -0.599 8.560 -9.099 1.00 0.00 C ATOM 1185 CZ TYR A 73 0.272 9.541 -9.442 1.00 0.00 C ATOM 1186 OH TYR A 73 0.070 10.247 -10.596 1.00 0.00 O ATOM 0 H TYR A 73 0.694 6.166 -4.000 1.00 0.00 H new ATOM 0 HA TYR A 73 2.006 5.639 -6.444 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.119 6.894 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.942 8.154 -5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.408 9.324 -6.856 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.096 7.096 -7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.049 10.613 -8.914 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.445 8.334 -9.731 1.00 0.00 H new ATOM 0 HH TYR A 73 0.777 10.032 -11.239 1.00 0.00 H new ATOM 1196 N LYS A 74 3.391 7.961 -4.576 1.00 0.00 N ATOM 1197 CA LYS A 74 4.597 8.710 -4.356 1.00 0.00 C ATOM 1198 C LYS A 74 5.708 7.776 -3.907 1.00 0.00 C ATOM 1199 O LYS A 74 6.854 7.981 -4.261 1.00 0.00 O ATOM 1200 CB LYS A 74 4.386 9.843 -3.335 1.00 0.00 C ATOM 1201 CG LYS A 74 4.068 9.353 -1.938 1.00 0.00 C ATOM 1202 CD LYS A 74 3.890 10.477 -0.921 1.00 0.00 C ATOM 1203 CE LYS A 74 2.769 11.429 -1.301 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.582 12.487 -0.288 1.00 0.00 N ATOM 0 H LYS A 74 2.630 8.197 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 74 4.884 9.178 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.285 10.459 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.574 10.484 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.157 8.756 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.869 8.694 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.682 10.047 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.822 11.035 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.990 11.885 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.841 10.870 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.809 13.117 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.346 12.053 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.460 13.037 -0.194 1.00 0.00 H new ATOM 1218 N ILE A 75 5.343 6.729 -3.165 1.00 0.00 N ATOM 1219 CA ILE A 75 6.294 5.748 -2.697 1.00 0.00 C ATOM 1220 C ILE A 75 6.868 4.917 -3.845 1.00 0.00 C ATOM 1221 O ILE A 75 8.063 4.681 -3.883 1.00 0.00 O ATOM 1222 CB ILE A 75 5.687 4.851 -1.561 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.059 5.382 -0.178 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.088 3.393 -1.685 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.660 6.814 0.100 1.00 0.00 C ATOM 0 H ILE A 75 4.381 6.547 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 75 7.131 6.292 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 75 4.605 4.902 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.597 4.742 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.138 5.293 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.639 2.822 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.740 3.000 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.173 3.308 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.971 7.089 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.143 7.473 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.578 6.913 0.014 1.00 0.00 H new ATOM 1237 N GLN A 76 6.026 4.514 -4.790 1.00 0.00 N ATOM 1238 CA GLN A 76 6.489 3.698 -5.906 1.00 0.00 C ATOM 1239 C GLN A 76 7.507 4.436 -6.737 1.00 0.00 C ATOM 1240 O GLN A 76 8.619 3.913 -7.025 1.00 0.00 O ATOM 1241 CB GLN A 76 5.345 3.197 -6.779 1.00 0.00 C ATOM 1242 CG GLN A 76 4.340 2.378 -6.003 1.00 0.00 C ATOM 1243 CD GLN A 76 3.626 1.347 -6.846 1.00 0.00 C ATOM 1244 OE1 GLN A 76 4.163 0.859 -7.830 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.429 0.983 -6.458 1.00 0.00 N ATOM 0 H GLN A 76 5.031 4.736 -4.807 1.00 0.00 H new ATOM 0 HA GLN A 76 6.967 2.821 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.840 4.049 -7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.750 2.594 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.850 1.875 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.603 3.047 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.009 1.410 -5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.917 0.273 -6.982 1.00 0.00 H new ATOM 1254 N LYS A 77 7.184 5.658 -7.096 1.00 0.00 N ATOM 1255 CA LYS A 77 8.123 6.422 -7.865 1.00 0.00 C ATOM 1256 C LYS A 77 9.355 6.812 -7.038 1.00 0.00 C ATOM 1257 O LYS A 77 10.471 6.863 -7.564 1.00 0.00 O ATOM 1258 CB LYS A 77 7.438 7.594 -8.504 1.00 0.00 C ATOM 1259 CG LYS A 77 6.543 8.367 -7.554 1.00 0.00 C ATOM 1260 CD LYS A 77 5.809 9.465 -8.235 1.00 0.00 C ATOM 1261 CE LYS A 77 4.878 8.971 -9.332 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.314 10.098 -10.115 1.00 0.00 N ATOM 0 H LYS A 77 6.306 6.127 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 77 8.506 5.797 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.192 8.269 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.842 7.241 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.827 7.684 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.147 8.783 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.229 10.019 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.528 10.163 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.422 8.300 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.067 8.392 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.358 9.850 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.266 10.947 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.922 10.288 -10.937 1.00 0.00 H new ATOM 1276 N GLU A 78 9.155 7.001 -5.738 1.00 0.00 N ATOM 1277 CA GLU A 78 10.235 7.340 -4.829 1.00 0.00 C ATOM 1278 C GLU A 78 11.213 6.178 -4.763 1.00 0.00 C ATOM 1279 O GLU A 78 12.417 6.368 -4.899 1.00 0.00 O ATOM 1280 CB GLU A 78 9.688 7.591 -3.429 1.00 0.00 C ATOM 1281 CG GLU A 78 10.645 8.285 -2.484 1.00 0.00 C ATOM 1282 CD GLU A 78 10.928 9.714 -2.887 1.00 0.00 C ATOM 1283 OE1 GLU A 78 9.988 10.538 -2.856 1.00 0.00 O ATOM 1284 OE2 GLU A 78 12.085 10.047 -3.198 1.00 0.00 O ATOM 0 H GLU A 78 8.242 6.923 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 78 10.731 8.240 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.782 8.192 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.398 6.636 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.229 8.271 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.582 7.729 -2.449 1.00 0.00 H new ATOM 1291 N LEU A 79 10.678 4.959 -4.588 1.00 0.00 N ATOM 1292 CA LEU A 79 11.503 3.780 -4.464 1.00 0.00 C ATOM 1293 C LEU A 79 12.337 3.566 -5.682 1.00 0.00 C ATOM 1294 O LEU A 79 13.517 3.322 -5.557 1.00 0.00 O ATOM 1295 CB LEU A 79 10.715 2.492 -4.042 1.00 0.00 C ATOM 1296 CG LEU A 79 9.642 1.920 -4.990 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.235 1.030 -6.079 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.598 1.171 -4.215 1.00 0.00 C ATOM 0 H LEU A 79 9.675 4.780 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 79 12.179 3.975 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.447 1.704 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.231 2.702 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 79 9.177 2.770 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.435 0.655 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.937 1.608 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.756 0.191 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.850 0.775 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.066 0.348 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.119 1.845 -3.505 1.00 0.00 H new ATOM 1310 N GLU A 80 11.750 3.727 -6.866 1.00 0.00 N ATOM 1311 CA GLU A 80 12.518 3.501 -8.078 1.00 0.00 C ATOM 1312 C GLU A 80 13.631 4.547 -8.265 1.00 0.00 C ATOM 1313 O GLU A 80 14.777 4.193 -8.644 1.00 0.00 O ATOM 1314 CB GLU A 80 11.627 3.344 -9.323 1.00 0.00 C ATOM 1315 CG GLU A 80 10.709 4.495 -9.619 1.00 0.00 C ATOM 1316 CD GLU A 80 9.889 4.244 -10.852 1.00 0.00 C ATOM 1317 OE1 GLU A 80 8.863 3.554 -10.766 1.00 0.00 O ATOM 1318 OE2 GLU A 80 10.279 4.714 -11.935 1.00 0.00 O ATOM 0 H GLU A 80 10.778 4.004 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 80 13.021 2.542 -7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.270 3.184 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.024 2.444 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.047 4.662 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.295 5.405 -9.750 1.00 0.00 H new ATOM 1325 N GLU A 81 13.342 5.806 -7.937 1.00 0.00 N ATOM 1326 CA GLU A 81 14.346 6.841 -8.089 1.00 0.00 C ATOM 1327 C GLU A 81 15.430 6.754 -7.020 1.00 0.00 C ATOM 1328 O GLU A 81 16.598 6.921 -7.325 1.00 0.00 O ATOM 1329 CB GLU A 81 13.749 8.256 -8.201 1.00 0.00 C ATOM 1330 CG GLU A 81 12.931 8.740 -7.012 1.00 0.00 C ATOM 1331 CD GLU A 81 12.312 10.089 -7.277 1.00 0.00 C ATOM 1332 OE1 GLU A 81 11.213 10.147 -7.874 1.00 0.00 O ATOM 1333 OE2 GLU A 81 12.928 11.122 -6.931 1.00 0.00 O ATOM 0 H GLU A 81 12.443 6.122 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 81 14.829 6.648 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.565 8.960 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.117 8.291 -9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.147 8.016 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.569 8.799 -6.130 1.00 0.00 H new ATOM 1340 N LYS A 82 15.057 6.445 -5.779 1.00 0.00 N ATOM 1341 CA LYS A 82 16.045 6.357 -4.702 1.00 0.00 C ATOM 1342 C LYS A 82 16.895 5.087 -4.839 1.00 0.00 C ATOM 1343 O LYS A 82 18.074 5.067 -4.467 1.00 0.00 O ATOM 1344 CB LYS A 82 15.384 6.506 -3.278 1.00 0.00 C ATOM 1345 CG LYS A 82 14.464 5.374 -2.816 1.00 0.00 C ATOM 1346 CD LYS A 82 15.257 4.191 -2.328 1.00 0.00 C ATOM 1347 CE LYS A 82 14.425 2.961 -2.167 1.00 0.00 C ATOM 1348 NZ LYS A 82 15.293 1.830 -1.875 1.00 0.00 N ATOM 0 H LYS A 82 14.096 6.254 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 82 16.724 7.204 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.182 6.614 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.812 7.434 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.814 5.733 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.819 5.068 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.066 3.987 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.719 4.439 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.704 3.098 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.855 2.772 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.986 1.005 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.273 2.070 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.242 1.606 -0.861 1.00 0.00 H new ATOM 1362 N ARG A 83 16.277 4.033 -5.371 1.00 0.00 N ATOM 1363 CA ARG A 83 16.942 2.751 -5.591 1.00 0.00 C ATOM 1364 C ARG A 83 18.000 2.920 -6.649 1.00 0.00 C ATOM 1365 O ARG A 83 19.103 2.375 -6.524 1.00 0.00 O ATOM 1366 CB ARG A 83 15.907 1.691 -6.013 1.00 0.00 C ATOM 1367 CG ARG A 83 16.443 0.323 -6.415 1.00 0.00 C ATOM 1368 CD ARG A 83 17.038 -0.470 -5.259 1.00 0.00 C ATOM 1369 NE ARG A 83 17.509 -1.775 -5.734 1.00 0.00 N ATOM 1370 CZ ARG A 83 17.912 -2.807 -4.975 1.00 0.00 C ATOM 1371 NH1 ARG A 83 17.770 -2.793 -3.650 1.00 0.00 N ATOM 1372 NH2 ARG A 83 18.407 -3.894 -5.563 1.00 0.00 N ATOM 0 H ARG A 83 15.299 4.045 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 83 17.416 2.414 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.209 1.552 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.335 2.090 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.635 -0.256 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.205 0.454 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.865 0.084 -4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.290 -0.607 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 83 17.533 -1.913 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.347 -1.986 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.084 -3.589 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.477 -3.937 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.716 -4.684 -4.997 1.00 0.00 H new ATOM 1386 N ARG A 84 17.676 3.685 -7.686 1.00 0.00 N ATOM 1387 CA ARG A 84 18.637 3.928 -8.723 1.00 0.00 C ATOM 1388 C ARG A 84 19.652 4.972 -8.270 1.00 0.00 C ATOM 1389 O ARG A 84 20.839 4.669 -8.150 1.00 0.00 O ATOM 1390 CB ARG A 84 17.942 4.444 -9.964 1.00 0.00 C ATOM 1391 CG ARG A 84 18.841 4.529 -11.173 1.00 0.00 C ATOM 1392 CD ARG A 84 18.180 5.307 -12.275 1.00 0.00 C ATOM 1393 NE ARG A 84 18.917 5.218 -13.542 1.00 0.00 N ATOM 1394 CZ ARG A 84 18.717 6.018 -14.604 1.00 0.00 C ATOM 1395 NH1 ARG A 84 17.914 7.077 -14.504 1.00 0.00 N ATOM 1396 NH2 ARG A 84 19.336 5.762 -15.756 1.00 0.00 N ATOM 0 H ARG A 84 16.770 4.134 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 84 19.145 2.989 -8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.099 3.793 -10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.533 5.433 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 84 19.782 5.006 -10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.082 3.526 -11.524 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.166 4.935 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.097 6.353 -11.979 1.00 0.00 H new ATOM 0 HE ARG A 84 19.633 4.496 -13.622 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.449 7.283 -13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.765 7.682 -15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.961 4.960 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.185 6.368 -16.562 1.00 0.00 H new ATOM 1410 N SER A 85 19.165 6.173 -7.940 1.00 0.00 N ATOM 1411 CA SER A 85 20.019 7.276 -7.574 1.00 0.00 C ATOM 1412 C SER A 85 19.224 8.554 -7.202 1.00 0.00 C ATOM 1413 O SER A 85 18.752 9.278 -8.090 1.00 0.00 O ATOM 1414 CB SER A 85 21.006 7.573 -8.726 1.00 0.00 C ATOM 1415 OG SER A 85 20.329 7.651 -9.993 1.00 0.00 O ATOM 0 H SER A 85 18.169 6.394 -7.923 1.00 0.00 H new ATOM 0 HA SER A 85 20.568 6.980 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.523 8.512 -8.530 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.766 6.793 -8.766 1.00 0.00 H new ATOM 0 HG SER A 85 19.531 8.212 -9.903 1.00 0.00 H new ATOM 1421 N ARG A 86 19.007 8.789 -5.908 1.00 0.00 N ATOM 1422 CA ARG A 86 18.438 10.069 -5.480 1.00 0.00 C ATOM 1423 C ARG A 86 19.405 10.745 -4.503 1.00 0.00 C ATOM 1424 O ARG A 86 19.403 11.963 -4.355 1.00 0.00 O ATOM 1425 CB ARG A 86 17.011 9.985 -4.847 1.00 0.00 C ATOM 1426 CG ARG A 86 16.968 9.698 -3.350 1.00 0.00 C ATOM 1427 CD ARG A 86 15.603 10.064 -2.756 1.00 0.00 C ATOM 1428 NE ARG A 86 15.607 10.029 -1.282 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.621 10.507 -0.489 1.00 0.00 C ATOM 1430 NH1 ARG A 86 13.426 10.799 -0.995 1.00 0.00 N ATOM 1431 NH2 ARG A 86 14.815 10.599 0.828 1.00 0.00 N ATOM 0 H ARG A 86 19.209 8.131 -5.155 1.00 0.00 H new ATOM 0 HA ARG A 86 18.309 10.658 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 86 16.495 10.927 -5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.449 9.207 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.174 8.642 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 86 17.751 10.264 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.318 11.061 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.849 9.373 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 86 16.417 9.611 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.246 10.663 -1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.689 11.159 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.705 10.309 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.074 10.959 1.429 1.00 0.00 H new ATOM 1445 N LEU A 87 20.213 9.937 -3.821 1.00 0.00 N ATOM 1446 CA LEU A 87 21.219 10.471 -2.904 1.00 0.00 C ATOM 1447 C LEU A 87 22.448 10.895 -3.682 1.00 0.00 C ATOM 1448 O LEU A 87 22.929 10.140 -4.549 1.00 0.00 O ATOM 1449 CB LEU A 87 21.638 9.454 -1.805 1.00 0.00 C ATOM 1450 CG LEU A 87 20.592 9.050 -0.745 1.00 0.00 C ATOM 1451 CD1 LEU A 87 19.536 8.113 -1.302 1.00 0.00 C ATOM 1452 CD2 LEU A 87 21.268 8.436 0.464 1.00 0.00 C ATOM 0 H LEU A 87 20.193 8.919 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 87 20.765 11.326 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 87 21.974 8.545 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 87 22.500 9.867 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 87 20.079 9.961 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 87 18.824 7.859 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.011 8.603 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.013 7.204 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.514 8.158 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 87 21.823 7.548 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 87 21.955 9.160 0.904 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 18.530 5.447 12.682 1.00 0.00 N ATOM 1466 CA GLY B 101 18.664 6.766 12.110 1.00 0.00 C ATOM 1467 C GLY B 101 17.325 7.442 11.972 1.00 0.00 C ATOM 1468 O GLY B 101 16.842 7.666 10.863 1.00 0.00 O ATOM 0 HA2 GLY B 101 19.317 7.372 12.738 1.00 0.00 H new ATOM 0 HA3 GLY B 101 19.140 6.694 11.132 1.00 0.00 H new ATOM 1472 N SER B 102 16.721 7.745 13.081 1.00 0.00 N ATOM 1473 CA SER B 102 15.435 8.363 13.094 1.00 0.00 C ATOM 1474 C SER B 102 15.498 9.654 13.898 1.00 0.00 C ATOM 1475 O SER B 102 15.690 9.639 15.117 1.00 0.00 O ATOM 1476 CB SER B 102 14.390 7.396 13.669 1.00 0.00 C ATOM 1477 OG SER B 102 13.085 7.944 13.616 1.00 0.00 O ATOM 0 H SER B 102 17.111 7.568 14.007 1.00 0.00 H new ATOM 0 HA SER B 102 15.136 8.608 12.075 1.00 0.00 H new ATOM 0 HB2 SER B 102 14.415 6.460 13.111 1.00 0.00 H new ATOM 0 HB3 SER B 102 14.643 7.158 14.702 1.00 0.00 H new ATOM 0 HG SER B 102 12.623 7.772 14.463 1.00 0.00 H new ATOM 1483 N MET B 103 15.376 10.760 13.207 1.00 0.00 N ATOM 1484 CA MET B 103 15.393 12.074 13.827 1.00 0.00 C ATOM 1485 C MET B 103 13.998 12.497 14.214 1.00 0.00 C ATOM 1486 O MET B 103 13.805 13.261 15.156 1.00 0.00 O ATOM 1487 CB MET B 103 15.993 13.123 12.883 1.00 0.00 C ATOM 1488 CG MET B 103 17.486 12.986 12.656 1.00 0.00 C ATOM 1489 SD MET B 103 18.444 13.219 14.172 1.00 0.00 S ATOM 1490 CE MET B 103 17.984 14.896 14.621 1.00 0.00 C ATOM 0 H MET B 103 15.261 10.781 12.194 1.00 0.00 H new ATOM 0 HA MET B 103 16.013 12.006 14.721 1.00 0.00 H new ATOM 0 HB2 MET B 103 15.485 13.060 11.921 1.00 0.00 H new ATOM 0 HB3 MET B 103 15.789 14.115 13.286 1.00 0.00 H new ATOM 0 HG2 MET B 103 17.698 11.999 12.245 1.00 0.00 H new ATOM 0 HG3 MET B 103 17.805 13.717 11.913 1.00 0.00 H new ATOM 0 HE1 MET B 103 18.721 15.302 15.314 1.00 0.00 H new ATOM 0 HE2 MET B 103 17.948 15.516 13.725 1.00 0.00 H new ATOM 0 HE3 MET B 103 17.003 14.889 15.097 1.00 0.00 H new ATOM 1500 N SER B 104 13.031 12.014 13.486 1.00 0.00 N ATOM 1501 CA SER B 104 11.662 12.388 13.733 1.00 0.00 C ATOM 1502 C SER B 104 10.721 11.217 13.509 1.00 0.00 C ATOM 1503 O SER B 104 9.877 10.917 14.364 1.00 0.00 O ATOM 1504 CB SER B 104 11.291 13.560 12.820 1.00 0.00 C ATOM 1505 OG SER B 104 11.624 13.260 11.462 1.00 0.00 O ATOM 0 H SER B 104 13.163 11.359 12.715 1.00 0.00 H new ATOM 0 HA SER B 104 11.561 12.690 14.775 1.00 0.00 H new ATOM 0 HB2 SER B 104 10.224 13.769 12.902 1.00 0.00 H new ATOM 0 HB3 SER B 104 11.818 14.459 13.140 1.00 0.00 H new ATOM 0 HG SER B 104 11.608 14.084 10.932 1.00 0.00 H new ATOM 1511 N HIS B 105 10.876 10.566 12.336 1.00 0.00 N ATOM 1512 CA HIS B 105 10.025 9.456 11.879 1.00 0.00 C ATOM 1513 C HIS B 105 8.625 10.018 11.566 1.00 0.00 C ATOM 1514 O HIS B 105 7.630 9.317 11.516 1.00 0.00 O ATOM 1515 CB HIS B 105 9.989 8.302 12.921 1.00 0.00 C ATOM 1516 CG HIS B 105 9.438 6.990 12.414 1.00 0.00 C ATOM 1517 ND1 HIS B 105 10.176 6.082 11.687 1.00 0.00 N ATOM 1518 CD2 HIS B 105 8.209 6.442 12.551 1.00 0.00 C ATOM 1519 CE1 HIS B 105 9.398 5.036 11.409 1.00 0.00 C ATOM 1520 NE2 HIS B 105 8.186 5.205 11.914 1.00 0.00 N ATOM 0 H HIS B 105 11.611 10.805 11.671 1.00 0.00 H new ATOM 0 HA HIS B 105 10.438 9.016 10.971 1.00 0.00 H new ATOM 0 HB2 HIS B 105 11.002 8.134 13.288 1.00 0.00 H new ATOM 0 HB3 HIS B 105 9.390 8.623 13.773 1.00 0.00 H new ATOM 0 HD1 HIS B 105 11.151 6.191 11.409 1.00 0.00 H new ATOM 0 HD2 HIS B 105 7.377 6.893 13.072 1.00 0.00 H new ATOM 0 HE1 HIS B 105 9.713 4.169 10.848 1.00 0.00 H new ATOM 1528 N TYR B 106 8.590 11.299 11.315 1.00 0.00 N ATOM 1529 CA TYR B 106 7.382 11.982 10.973 1.00 0.00 C ATOM 1530 C TYR B 106 7.636 12.752 9.700 1.00 0.00 C ATOM 1531 O TYR B 106 8.481 13.632 9.663 1.00 0.00 O ATOM 1532 CB TYR B 106 6.953 12.912 12.114 1.00 0.00 C ATOM 1533 CG TYR B 106 5.663 13.654 11.852 1.00 0.00 C ATOM 1534 CD1 TYR B 106 4.440 13.009 11.943 1.00 0.00 C ATOM 1535 CD2 TYR B 106 5.668 14.997 11.518 1.00 0.00 C ATOM 1536 CE1 TYR B 106 3.261 13.683 11.705 1.00 0.00 C ATOM 1537 CE2 TYR B 106 4.494 15.674 11.280 1.00 0.00 C ATOM 1538 CZ TYR B 106 3.297 15.016 11.375 1.00 0.00 C ATOM 1539 OH TYR B 106 2.124 15.697 11.135 1.00 0.00 O ATOM 0 H TYR B 106 9.413 11.901 11.344 1.00 0.00 H new ATOM 0 HA TYR B 106 6.568 11.274 10.818 1.00 0.00 H new ATOM 0 HB2 TYR B 106 6.843 12.325 13.026 1.00 0.00 H new ATOM 0 HB3 TYR B 106 7.746 13.637 12.296 1.00 0.00 H new ATOM 0 HD1 TYR B 106 4.410 11.962 12.205 1.00 0.00 H new ATOM 0 HD2 TYR B 106 6.609 15.522 11.443 1.00 0.00 H new ATOM 0 HE1 TYR B 106 2.315 13.166 11.778 1.00 0.00 H new ATOM 0 HE2 TYR B 106 4.517 16.722 11.019 1.00 0.00 H new ATOM 0 HH TYR B 106 2.327 16.630 10.916 1.00 0.00 H new ATOM 1549 N GLY B 107 6.980 12.352 8.650 1.00 0.00 N ATOM 1550 CA GLY B 107 7.153 12.973 7.361 1.00 0.00 C ATOM 1551 C GLY B 107 8.108 12.172 6.507 1.00 0.00 C ATOM 1552 O GLY B 107 7.976 12.108 5.284 1.00 0.00 O ATOM 0 H GLY B 107 6.308 11.585 8.659 1.00 0.00 H new ATOM 0 HA2 GLY B 107 6.189 13.055 6.859 1.00 0.00 H new ATOM 0 HA3 GLY B 107 7.533 13.987 7.488 1.00 0.00 H new ATOM 1556 N ASN B 108 9.041 11.524 7.158 1.00 0.00 N ATOM 1557 CA ASN B 108 10.067 10.752 6.474 1.00 0.00 C ATOM 1558 C ASN B 108 10.083 9.308 6.924 1.00 0.00 C ATOM 1559 O ASN B 108 10.960 8.542 6.523 1.00 0.00 O ATOM 1560 CB ASN B 108 11.451 11.379 6.667 1.00 0.00 C ATOM 1561 CG ASN B 108 11.801 11.528 8.133 1.00 0.00 C ATOM 1562 OD1 ASN B 108 12.340 10.624 8.759 1.00 0.00 O ATOM 1563 ND2 ASN B 108 11.495 12.661 8.691 1.00 0.00 N ATOM 0 H ASN B 108 9.117 11.512 8.175 1.00 0.00 H new ATOM 0 HA ASN B 108 9.819 10.769 5.413 1.00 0.00 H new ATOM 0 HB2 ASN B 108 12.202 10.761 6.175 1.00 0.00 H new ATOM 0 HB3 ASN B 108 11.478 12.357 6.186 1.00 0.00 H new ATOM 0 HD21 ASN B 108 11.703 12.816 9.677 1.00 0.00 H new ATOM 0 HD22 ASN B 108 11.046 13.395 8.143 1.00 0.00 H new ATOM 1570 N GLN B 109 9.072 8.917 7.693 1.00 0.00 N ATOM 1571 CA GLN B 109 8.975 7.545 8.207 1.00 0.00 C ATOM 1572 C GLN B 109 8.904 6.563 7.057 1.00 0.00 C ATOM 1573 O GLN B 109 9.563 5.532 7.063 1.00 0.00 O ATOM 1574 CB GLN B 109 7.737 7.349 9.139 1.00 0.00 C ATOM 1575 CG GLN B 109 6.342 7.411 8.476 1.00 0.00 C ATOM 1576 CD GLN B 109 6.029 8.740 7.834 1.00 0.00 C ATOM 1577 OE1 GLN B 109 6.491 9.770 8.277 1.00 0.00 O ATOM 1578 NE2 GLN B 109 5.289 8.722 6.770 1.00 0.00 N ATOM 0 H GLN B 109 8.305 9.527 7.977 1.00 0.00 H new ATOM 0 HA GLN B 109 9.870 7.360 8.801 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.835 6.382 9.633 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.776 8.110 9.918 1.00 0.00 H new ATOM 0 HG2 GLN B 109 6.275 6.629 7.720 1.00 0.00 H new ATOM 0 HG3 GLN B 109 5.583 7.194 9.228 1.00 0.00 H new ATOM 0 HE21 GLN B 109 4.916 7.838 6.423 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.080 9.591 6.279 1.00 0.00 H new ATOM 1587 N THR B 110 8.197 6.967 6.024 1.00 0.00 N ATOM 1588 CA THR B 110 7.928 6.111 4.928 1.00 0.00 C ATOM 1589 C THR B 110 9.190 5.854 4.101 1.00 0.00 C ATOM 1590 O THR B 110 9.405 4.752 3.651 1.00 0.00 O ATOM 1591 CB THR B 110 6.725 6.628 4.080 1.00 0.00 C ATOM 1592 OG1 THR B 110 6.376 5.695 3.064 1.00 0.00 O ATOM 1593 CG2 THR B 110 7.013 7.995 3.458 1.00 0.00 C ATOM 0 H THR B 110 7.800 7.902 5.936 1.00 0.00 H new ATOM 0 HA THR B 110 7.621 5.141 5.320 1.00 0.00 H new ATOM 0 HB THR B 110 5.882 6.738 4.762 1.00 0.00 H new ATOM 0 HG1 THR B 110 5.416 5.759 2.876 1.00 0.00 H new ATOM 0 HG21 THR B 110 6.150 8.319 2.876 1.00 0.00 H new ATOM 0 HG22 THR B 110 7.211 8.720 4.248 1.00 0.00 H new ATOM 0 HG23 THR B 110 7.884 7.922 2.806 1.00 0.00 H new ATOM 1601 N LEU B 111 10.065 6.855 3.995 1.00 0.00 N ATOM 1602 CA LEU B 111 11.308 6.692 3.255 1.00 0.00 C ATOM 1603 C LEU B 111 12.222 5.704 3.939 1.00 0.00 C ATOM 1604 O LEU B 111 12.765 4.807 3.295 1.00 0.00 O ATOM 1605 CB LEU B 111 12.033 8.030 3.025 1.00 0.00 C ATOM 1606 CG LEU B 111 11.804 8.733 1.669 1.00 0.00 C ATOM 1607 CD1 LEU B 111 12.351 7.884 0.522 1.00 0.00 C ATOM 1608 CD2 LEU B 111 10.332 9.048 1.444 1.00 0.00 C ATOM 0 H LEU B 111 9.934 7.778 4.410 1.00 0.00 H new ATOM 0 HA LEU B 111 11.039 6.297 2.275 1.00 0.00 H new ATOM 0 HB2 LEU B 111 11.733 8.717 3.816 1.00 0.00 H new ATOM 0 HB3 LEU B 111 13.103 7.858 3.140 1.00 0.00 H new ATOM 0 HG LEU B 111 12.346 9.678 1.693 1.00 0.00 H new ATOM 0 HD11 LEU B 111 12.180 8.397 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU B 111 13.421 7.729 0.662 1.00 0.00 H new ATOM 0 HD13 LEU B 111 11.843 6.920 0.509 1.00 0.00 H new ATOM 0 HD21 LEU B 111 10.209 9.542 0.480 1.00 0.00 H new ATOM 0 HD22 LEU B 111 9.756 8.122 1.453 1.00 0.00 H new ATOM 0 HD23 LEU B 111 9.975 9.705 2.237 1.00 0.00 H new ATOM 1620 N GLN B 112 12.355 5.827 5.246 1.00 0.00 N ATOM 1621 CA GLN B 112 13.242 4.945 5.961 1.00 0.00 C ATOM 1622 C GLN B 112 12.659 3.546 6.133 1.00 0.00 C ATOM 1623 O GLN B 112 13.400 2.565 6.064 1.00 0.00 O ATOM 1624 CB GLN B 112 13.744 5.537 7.278 1.00 0.00 C ATOM 1625 CG GLN B 112 12.675 5.888 8.291 1.00 0.00 C ATOM 1626 CD GLN B 112 13.264 6.425 9.580 1.00 0.00 C ATOM 1627 OE1 GLN B 112 12.696 6.242 10.654 1.00 0.00 O ATOM 1628 NE2 GLN B 112 14.394 7.080 9.492 1.00 0.00 N ATOM 0 H GLN B 112 11.869 6.516 5.820 1.00 0.00 H new ATOM 0 HA GLN B 112 14.125 4.837 5.331 1.00 0.00 H new ATOM 0 HB2 GLN B 112 14.432 4.826 7.735 1.00 0.00 H new ATOM 0 HB3 GLN B 112 14.317 6.437 7.055 1.00 0.00 H new ATOM 0 HG2 GLN B 112 12.002 6.631 7.864 1.00 0.00 H new ATOM 0 HG3 GLN B 112 12.077 5.003 8.508 1.00 0.00 H new ATOM 0 HE21 GLN B 112 14.837 7.213 8.583 1.00 0.00 H new ATOM 0 HE22 GLN B 112 14.831 7.458 10.333 1.00 0.00 H new ATOM 1637 N ASP B 113 11.338 3.433 6.326 1.00 0.00 N ATOM 1638 CA ASP B 113 10.713 2.101 6.399 1.00 0.00 C ATOM 1639 C ASP B 113 10.871 1.394 5.073 1.00 0.00 C ATOM 1640 O ASP B 113 11.299 0.254 5.022 1.00 0.00 O ATOM 1641 CB ASP B 113 9.220 2.125 6.806 1.00 0.00 C ATOM 1642 CG ASP B 113 8.972 2.398 8.284 1.00 0.00 C ATOM 1643 OD1 ASP B 113 9.497 1.640 9.144 1.00 0.00 O ATOM 1644 OD2 ASP B 113 8.237 3.348 8.608 1.00 0.00 O ATOM 0 H ASP B 113 10.697 4.219 6.432 1.00 0.00 H new ATOM 0 HA ASP B 113 11.233 1.562 7.191 1.00 0.00 H new ATOM 0 HB2 ASP B 113 8.709 2.887 6.218 1.00 0.00 H new ATOM 0 HB3 ASP B 113 8.770 1.167 6.546 1.00 0.00 H new ATOM 1649 N LEU B 114 10.600 2.118 4.003 1.00 0.00 N ATOM 1650 CA LEU B 114 10.724 1.612 2.640 1.00 0.00 C ATOM 1651 C LEU B 114 12.175 1.247 2.316 1.00 0.00 C ATOM 1652 O LEU B 114 12.442 0.265 1.619 1.00 0.00 O ATOM 1653 CB LEU B 114 10.204 2.673 1.680 1.00 0.00 C ATOM 1654 CG LEU B 114 10.284 2.413 0.185 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.528 1.145 -0.200 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.720 3.626 -0.537 1.00 0.00 C ATOM 0 H LEU B 114 10.283 3.086 4.052 1.00 0.00 H new ATOM 0 HA LEU B 114 10.134 0.701 2.536 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.158 2.857 1.927 1.00 0.00 H new ATOM 0 HB3 LEU B 114 10.747 3.596 1.884 1.00 0.00 H new ATOM 0 HG LEU B 114 11.323 2.257 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.605 0.988 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.959 0.291 0.323 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.479 1.248 0.077 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.767 3.463 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.683 3.778 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.305 4.508 -0.278 1.00 0.00 H new ATOM 1668 N LEU B 115 13.113 2.026 2.828 1.00 0.00 N ATOM 1669 CA LEU B 115 14.517 1.735 2.617 1.00 0.00 C ATOM 1670 C LEU B 115 14.913 0.489 3.415 1.00 0.00 C ATOM 1671 O LEU B 115 15.753 -0.292 2.984 1.00 0.00 O ATOM 1672 CB LEU B 115 15.391 2.946 2.968 1.00 0.00 C ATOM 1673 CG LEU B 115 16.887 2.835 2.644 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.107 2.549 1.158 1.00 0.00 C ATOM 1675 CD2 LEU B 115 17.599 4.116 3.035 1.00 0.00 C ATOM 0 H LEU B 115 12.928 2.858 3.388 1.00 0.00 H new ATOM 0 HA LEU B 115 14.683 1.526 1.560 1.00 0.00 H new ATOM 0 HB2 LEU B 115 14.993 3.815 2.445 1.00 0.00 H new ATOM 0 HB3 LEU B 115 15.288 3.142 4.035 1.00 0.00 H new ATOM 0 HG LEU B 115 17.299 2.004 3.217 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.176 2.475 0.956 1.00 0.00 H new ATOM 0 HD12 LEU B 115 16.622 1.610 0.893 1.00 0.00 H new ATOM 0 HD13 LEU B 115 16.681 3.358 0.565 1.00 0.00 H new ATOM 0 HD21 LEU B 115 18.660 4.028 2.802 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.173 4.953 2.481 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.476 4.289 4.104 1.00 0.00 H new ATOM 1687 N THR B 116 14.257 0.288 4.544 1.00 0.00 N ATOM 1688 CA THR B 116 14.455 -0.901 5.345 1.00 0.00 C ATOM 1689 C THR B 116 13.918 -2.123 4.572 1.00 0.00 C ATOM 1690 O THR B 116 14.575 -3.168 4.508 1.00 0.00 O ATOM 1691 CB THR B 116 13.745 -0.762 6.716 1.00 0.00 C ATOM 1692 OG1 THR B 116 14.254 0.406 7.396 1.00 0.00 O ATOM 1693 CG2 THR B 116 13.977 -1.987 7.593 1.00 0.00 C ATOM 0 H THR B 116 13.576 0.943 4.928 1.00 0.00 H new ATOM 0 HA THR B 116 15.519 -1.035 5.537 1.00 0.00 H new ATOM 0 HB THR B 116 12.674 -0.668 6.536 1.00 0.00 H new ATOM 0 HG1 THR B 116 13.855 1.212 7.006 1.00 0.00 H new ATOM 0 HG21 THR B 116 13.465 -1.855 8.546 1.00 0.00 H new ATOM 0 HG22 THR B 116 13.587 -2.873 7.091 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.045 -2.111 7.770 1.00 0.00 H new ATOM 1701 N SER B 117 12.746 -1.958 3.955 1.00 0.00 N ATOM 1702 CA SER B 117 12.138 -2.979 3.116 1.00 0.00 C ATOM 1703 C SER B 117 13.076 -3.358 1.976 1.00 0.00 C ATOM 1704 O SER B 117 13.305 -4.536 1.689 1.00 0.00 O ATOM 1705 CB SER B 117 10.879 -2.419 2.510 1.00 0.00 C ATOM 1706 OG SER B 117 10.046 -1.855 3.492 1.00 0.00 O ATOM 0 H SER B 117 12.193 -1.104 4.027 1.00 0.00 H new ATOM 0 HA SER B 117 11.928 -3.857 3.727 1.00 0.00 H new ATOM 0 HB2 SER B 117 11.135 -1.662 1.769 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.343 -3.210 1.985 1.00 0.00 H new ATOM 0 HG SER B 117 9.437 -2.541 3.838 1.00 0.00 H new ATOM 1712 N ASP B 118 13.618 -2.340 1.349 1.00 0.00 N ATOM 1713 CA ASP B 118 14.533 -2.486 0.233 1.00 0.00 C ATOM 1714 C ASP B 118 15.782 -3.227 0.686 1.00 0.00 C ATOM 1715 O ASP B 118 16.260 -4.132 0.008 1.00 0.00 O ATOM 1716 CB ASP B 118 14.905 -1.107 -0.277 1.00 0.00 C ATOM 1717 CG ASP B 118 15.696 -1.116 -1.552 1.00 0.00 C ATOM 1718 OD1 ASP B 118 16.907 -1.379 -1.539 1.00 0.00 O ATOM 1719 OD2 ASP B 118 15.127 -0.732 -2.572 1.00 0.00 O ATOM 0 H ASP B 118 13.434 -1.369 1.602 1.00 0.00 H new ATOM 0 HA ASP B 118 14.058 -3.057 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.993 -0.531 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.481 -0.591 0.491 1.00 0.00 H new ATOM 1724 N SER B 119 16.269 -2.864 1.856 1.00 0.00 N ATOM 1725 CA SER B 119 17.432 -3.474 2.436 1.00 0.00 C ATOM 1726 C SER B 119 17.174 -4.959 2.765 1.00 0.00 C ATOM 1727 O SER B 119 18.033 -5.809 2.503 1.00 0.00 O ATOM 1728 CB SER B 119 17.874 -2.686 3.686 1.00 0.00 C ATOM 1729 OG SER B 119 19.051 -3.230 4.268 1.00 0.00 O ATOM 0 H SER B 119 15.858 -2.128 2.431 1.00 0.00 H new ATOM 0 HA SER B 119 18.243 -3.443 1.708 1.00 0.00 H new ATOM 0 HB2 SER B 119 18.051 -1.645 3.415 1.00 0.00 H new ATOM 0 HB3 SER B 119 17.070 -2.691 4.422 1.00 0.00 H new ATOM 0 HG SER B 119 19.300 -2.703 5.056 1.00 0.00 H new ATOM 1735 N LEU B 120 15.987 -5.275 3.309 1.00 0.00 N ATOM 1736 CA LEU B 120 15.662 -6.658 3.662 1.00 0.00 C ATOM 1737 C LEU B 120 15.503 -7.512 2.404 1.00 0.00 C ATOM 1738 O LEU B 120 15.835 -8.699 2.401 1.00 0.00 O ATOM 1739 CB LEU B 120 14.407 -6.755 4.621 1.00 0.00 C ATOM 1740 CG LEU B 120 12.986 -6.393 4.071 1.00 0.00 C ATOM 1741 CD1 LEU B 120 12.377 -7.514 3.229 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.031 -6.008 5.192 1.00 0.00 C ATOM 0 H LEU B 120 15.250 -4.600 3.510 1.00 0.00 H new ATOM 0 HA LEU B 120 16.500 -7.061 4.231 1.00 0.00 H new ATOM 0 HB2 LEU B 120 14.361 -7.777 4.996 1.00 0.00 H new ATOM 0 HB3 LEU B 120 14.600 -6.109 5.478 1.00 0.00 H new ATOM 0 HG LEU B 120 13.130 -5.530 3.420 1.00 0.00 H new ATOM 0 HD11 LEU B 120 11.393 -7.209 2.874 1.00 0.00 H new ATOM 0 HD12 LEU B 120 13.023 -7.720 2.375 1.00 0.00 H new ATOM 0 HD13 LEU B 120 12.281 -8.414 3.836 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.056 -5.764 4.771 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.928 -6.843 5.885 1.00 0.00 H new ATOM 0 HD23 LEU B 120 12.424 -5.141 5.723 1.00 0.00 H new ATOM 1754 N SER B 121 15.006 -6.894 1.349 1.00 0.00 N ATOM 1755 CA SER B 121 14.781 -7.555 0.085 1.00 0.00 C ATOM 1756 C SER B 121 16.119 -7.758 -0.643 1.00 0.00 C ATOM 1757 O SER B 121 16.381 -8.829 -1.213 1.00 0.00 O ATOM 1758 CB SER B 121 13.809 -6.704 -0.756 1.00 0.00 C ATOM 1759 OG SER B 121 13.440 -7.340 -1.959 1.00 0.00 O ATOM 0 H SER B 121 14.745 -5.908 1.350 1.00 0.00 H new ATOM 0 HA SER B 121 14.338 -8.538 0.246 1.00 0.00 H new ATOM 0 HB2 SER B 121 12.914 -6.494 -0.170 1.00 0.00 H new ATOM 0 HB3 SER B 121 14.274 -5.745 -0.983 1.00 0.00 H new ATOM 0 HG SER B 121 12.598 -6.959 -2.286 1.00 0.00 H new ATOM 1765 N HIS B 122 16.961 -6.724 -0.586 1.00 0.00 N ATOM 1766 CA HIS B 122 18.289 -6.677 -1.197 1.00 0.00 C ATOM 1767 C HIS B 122 18.194 -6.595 -2.725 1.00 0.00 C ATOM 1768 O HIS B 122 18.548 -5.574 -3.310 1.00 0.00 O ATOM 1769 CB HIS B 122 19.225 -7.835 -0.727 1.00 0.00 C ATOM 1770 CG HIS B 122 20.647 -7.738 -1.248 1.00 0.00 C ATOM 1771 ND1 HIS B 122 21.722 -7.308 -0.496 1.00 0.00 N ATOM 1772 CD2 HIS B 122 21.153 -8.024 -2.477 1.00 0.00 C ATOM 1773 CE1 HIS B 122 22.809 -7.335 -1.267 1.00 0.00 C ATOM 1774 NE2 HIS B 122 22.518 -7.764 -2.484 1.00 0.00 N ATOM 0 H HIS B 122 16.726 -5.863 -0.093 1.00 0.00 H new ATOM 0 HA HIS B 122 18.761 -5.760 -0.843 1.00 0.00 H new ATOM 0 HB2 HIS B 122 19.250 -7.847 0.363 1.00 0.00 H new ATOM 0 HB3 HIS B 122 18.797 -8.785 -1.047 1.00 0.00 H new ATOM 0 HD2 HIS B 122 20.583 -8.395 -3.316 1.00 0.00 H new ATOM 0 HE1 HIS B 122 23.797 -7.045 -0.941 1.00 0.00 H new ATOM 0 HE2 HIS B 122 23.162 -7.880 -3.266 1.00 0.00 H new ATOM 1782 N SER B 123 17.714 -7.641 -3.343 1.00 0.00 N ATOM 1783 CA SER B 123 17.587 -7.710 -4.761 1.00 0.00 C ATOM 1784 C SER B 123 16.120 -7.578 -5.166 1.00 0.00 C ATOM 1785 O SER B 123 15.318 -8.500 -4.981 1.00 0.00 O ATOM 1786 CB SER B 123 18.229 -9.011 -5.276 1.00 0.00 C ATOM 1787 OG SER B 123 17.860 -10.130 -4.465 1.00 0.00 O ATOM 0 H SER B 123 17.396 -8.481 -2.859 1.00 0.00 H new ATOM 0 HA SER B 123 18.119 -6.879 -5.224 1.00 0.00 H new ATOM 0 HB2 SER B 123 17.920 -9.188 -6.306 1.00 0.00 H new ATOM 0 HB3 SER B 123 19.314 -8.906 -5.282 1.00 0.00 H new ATOM 0 HG SER B 123 16.902 -10.087 -4.265 1.00 0.00 H new ATOM 1793 N ASP B 124 15.775 -6.422 -5.695 1.00 0.00 N ATOM 1794 CA ASP B 124 14.401 -6.124 -6.087 1.00 0.00 C ATOM 1795 C ASP B 124 14.031 -6.879 -7.368 1.00 0.00 C ATOM 1796 O ASP B 124 14.832 -7.670 -7.895 1.00 0.00 O ATOM 1797 CB ASP B 124 14.219 -4.606 -6.301 1.00 0.00 C ATOM 1798 CG ASP B 124 14.882 -4.091 -7.571 1.00 0.00 C ATOM 1799 OD1 ASP B 124 16.132 -3.964 -7.607 1.00 0.00 O ATOM 1800 OD2 ASP B 124 14.163 -3.817 -8.567 1.00 0.00 O ATOM 0 H ASP B 124 16.432 -5.661 -5.867 1.00 0.00 H new ATOM 0 HA ASP B 124 13.739 -6.450 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP B 124 13.154 -4.377 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP B 124 14.631 -4.074 -5.443 1.00 0.00 H new ATOM 1805 N GLY B 125 12.844 -6.640 -7.863 1.00 0.00 N ATOM 1806 CA GLY B 125 12.393 -7.291 -9.056 1.00 0.00 C ATOM 1807 C GLY B 125 10.928 -7.055 -9.272 1.00 0.00 C ATOM 1808 O GLY B 125 10.500 -6.658 -10.364 1.00 0.00 O ATOM 0 H GLY B 125 12.171 -5.993 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY B 125 12.956 -6.920 -9.913 1.00 0.00 H new ATOM 0 HA3 GLY B 125 12.587 -8.361 -8.987 1.00 0.00 H new ATOM 1812 N GLY B 126 10.161 -7.257 -8.226 1.00 0.00 N ATOM 1813 CA GLY B 126 8.738 -7.090 -8.298 1.00 0.00 C ATOM 1814 C GLY B 126 8.062 -8.426 -8.474 1.00 0.00 C ATOM 1815 O GLY B 126 8.725 -9.473 -8.421 1.00 0.00 O ATOM 0 H GLY B 126 10.508 -7.540 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY B 126 8.375 -6.608 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY B 126 8.484 -6.434 -9.130 1.00 0.00 H new ATOM 1819 N GLY B 127 6.781 -8.421 -8.694 1.00 0.00 N ATOM 1820 CA GLY B 127 6.079 -9.654 -8.888 1.00 0.00 C ATOM 1821 C GLY B 127 4.591 -9.490 -8.768 1.00 0.00 C ATOM 1822 O GLY B 127 4.112 -8.711 -7.940 1.00 0.00 O ATOM 0 H GLY B 127 6.203 -7.582 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY B 127 6.319 -10.055 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY B 127 6.422 -10.384 -8.154 1.00 0.00 H new ATOM 1826 N SER B 128 3.871 -10.210 -9.580 1.00 0.00 N ATOM 1827 CA SER B 128 2.440 -10.172 -9.585 1.00 0.00 C ATOM 1828 C SER B 128 1.907 -11.146 -8.530 1.00 0.00 C ATOM 1829 O SER B 128 2.184 -12.347 -8.585 1.00 0.00 O ATOM 1830 CB SER B 128 1.923 -10.544 -10.983 1.00 0.00 C ATOM 1831 OG SER B 128 0.511 -10.427 -11.074 1.00 0.00 O ATOM 0 H SER B 128 4.270 -10.849 -10.267 1.00 0.00 H new ATOM 0 HA SER B 128 2.090 -9.168 -9.343 1.00 0.00 H new ATOM 0 HB2 SER B 128 2.389 -9.898 -11.726 1.00 0.00 H new ATOM 0 HB3 SER B 128 2.219 -11.566 -11.219 1.00 0.00 H new ATOM 0 HG SER B 128 0.220 -10.670 -11.978 1.00 0.00 H new ATOM 1837 N GLY B 129 1.181 -10.622 -7.561 1.00 0.00 N ATOM 1838 CA GLY B 129 0.629 -11.454 -6.527 1.00 0.00 C ATOM 1839 C GLY B 129 -0.724 -11.988 -6.916 1.00 0.00 C ATOM 1840 O GLY B 129 -0.842 -12.796 -7.847 1.00 0.00 O ATOM 0 H GLY B 129 0.965 -9.629 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY B 129 1.306 -12.285 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY B 129 0.544 -10.881 -5.603 1.00 0.00 H new ATOM 1844 N GLY B 130 -1.741 -11.527 -6.247 1.00 0.00 N ATOM 1845 CA GLY B 130 -3.078 -11.968 -6.542 1.00 0.00 C ATOM 1846 C GLY B 130 -3.955 -10.812 -6.904 1.00 0.00 C ATOM 1847 O GLY B 130 -3.876 -10.295 -8.018 1.00 0.00 O ATOM 0 H GLY B 130 -1.672 -10.845 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -3.056 -12.684 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -3.493 -12.487 -5.678 1.00 0.00 H new ATOM 1851 N GLY B 131 -4.777 -10.389 -5.978 1.00 0.00 N ATOM 1852 CA GLY B 131 -5.627 -9.261 -6.224 1.00 0.00 C ATOM 1853 C GLY B 131 -7.041 -9.667 -6.564 1.00 0.00 C ATOM 1854 O GLY B 131 -7.401 -9.777 -7.735 1.00 0.00 O ATOM 0 H GLY B 131 -4.873 -10.808 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -5.638 -8.619 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -5.215 -8.671 -7.043 1.00 0.00 H new ATOM 1858 N SER B 132 -7.837 -9.894 -5.544 1.00 0.00 N ATOM 1859 CA SER B 132 -9.230 -10.225 -5.720 1.00 0.00 C ATOM 1860 C SER B 132 -10.022 -8.925 -5.887 1.00 0.00 C ATOM 1861 O SER B 132 -9.491 -7.842 -5.612 1.00 0.00 O ATOM 1862 CB SER B 132 -9.722 -11.009 -4.506 1.00 0.00 C ATOM 1863 OG SER B 132 -8.906 -12.153 -4.278 1.00 0.00 O ATOM 0 H SER B 132 -7.536 -9.854 -4.570 1.00 0.00 H new ATOM 0 HA SER B 132 -9.368 -10.844 -6.606 1.00 0.00 H new ATOM 0 HB2 SER B 132 -9.711 -10.368 -3.625 1.00 0.00 H new ATOM 0 HB3 SER B 132 -10.755 -11.319 -4.662 1.00 0.00 H new ATOM 0 HG SER B 132 -9.237 -12.640 -3.495 1.00 0.00 H new ATOM 1869 N GLY B 133 -11.249 -9.014 -6.333 1.00 0.00 N ATOM 1870 CA GLY B 133 -12.022 -7.828 -6.546 1.00 0.00 C ATOM 1871 C GLY B 133 -13.292 -8.106 -7.294 1.00 0.00 C ATOM 1872 O GLY B 133 -13.451 -9.187 -7.893 1.00 0.00 O ATOM 0 H GLY B 133 -11.726 -9.888 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -12.261 -7.374 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -11.427 -7.103 -7.101 1.00 0.00 H new ATOM 1876 N GLY B 134 -14.193 -7.167 -7.238 1.00 0.00 N ATOM 1877 CA GLY B 134 -15.444 -7.256 -7.944 1.00 0.00 C ATOM 1878 C GLY B 134 -16.605 -6.986 -7.024 1.00 0.00 C ATOM 1879 O GLY B 134 -17.723 -7.465 -7.247 1.00 0.00 O ATOM 0 H GLY B 134 -14.081 -6.310 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -15.453 -6.540 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -15.547 -8.248 -8.384 1.00 0.00 H new ATOM 1883 N GLY B 135 -16.346 -6.235 -5.977 1.00 0.00 N ATOM 1884 CA GLY B 135 -17.360 -5.934 -5.026 1.00 0.00 C ATOM 1885 C GLY B 135 -17.846 -4.509 -5.111 1.00 0.00 C ATOM 1886 O GLY B 135 -19.042 -4.254 -4.943 1.00 0.00 O ATOM 0 H GLY B 135 -15.434 -5.826 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -18.203 -6.609 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -16.977 -6.122 -4.023 1.00 0.00 H new ATOM 1890 N SER B 136 -16.952 -3.562 -5.376 1.00 0.00 N ATOM 1891 CA SER B 136 -17.372 -2.179 -5.382 1.00 0.00 C ATOM 1892 C SER B 136 -16.739 -1.329 -6.515 1.00 0.00 C ATOM 1893 O SER B 136 -17.434 -0.888 -7.444 1.00 0.00 O ATOM 1894 CB SER B 136 -17.085 -1.564 -4.002 1.00 0.00 C ATOM 1895 OG SER B 136 -17.521 -0.223 -3.921 1.00 0.00 O ATOM 0 H SER B 136 -15.966 -3.724 -5.582 1.00 0.00 H new ATOM 0 HA SER B 136 -18.442 -2.168 -5.589 1.00 0.00 H new ATOM 0 HB2 SER B 136 -17.581 -2.154 -3.231 1.00 0.00 H new ATOM 0 HB3 SER B 136 -16.015 -1.611 -3.799 1.00 0.00 H new ATOM 0 HG SER B 136 -17.952 -0.071 -3.054 1.00 0.00 H new ATOM 1901 N LEU B 137 -15.448 -1.110 -6.447 1.00 0.00 N ATOM 1902 CA LEU B 137 -14.771 -0.201 -7.364 1.00 0.00 C ATOM 1903 C LEU B 137 -13.967 -0.984 -8.389 1.00 0.00 C ATOM 1904 O LEU B 137 -13.722 -0.518 -9.505 1.00 0.00 O ATOM 1905 CB LEU B 137 -13.837 0.738 -6.574 1.00 0.00 C ATOM 1906 CG LEU B 137 -14.474 1.529 -5.417 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.416 2.329 -4.680 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.579 2.451 -5.915 1.00 0.00 C ATOM 0 H LEU B 137 -14.833 -1.550 -5.762 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.521 0.392 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.018 0.143 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.399 1.450 -7.273 1.00 0.00 H new ATOM 0 HG LEU B 137 -14.921 0.811 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -13.881 2.883 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -12.664 1.652 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -12.942 3.028 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -16.007 2.994 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -15.165 3.160 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.357 1.859 -6.398 1.00 0.00 H new ATOM 1920 N GLU B 138 -13.598 -2.197 -8.007 1.00 0.00 N ATOM 1921 CA GLU B 138 -12.748 -3.085 -8.806 1.00 0.00 C ATOM 1922 C GLU B 138 -13.469 -3.529 -10.087 1.00 0.00 C ATOM 1923 O GLU B 138 -12.835 -3.961 -11.058 1.00 0.00 O ATOM 1924 CB GLU B 138 -12.330 -4.351 -8.010 1.00 0.00 C ATOM 1925 CG GLU B 138 -12.131 -4.175 -6.499 1.00 0.00 C ATOM 1926 CD GLU B 138 -13.449 -4.166 -5.742 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -13.960 -5.231 -5.429 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -14.018 -3.095 -5.519 1.00 0.00 O ATOM 0 H GLU B 138 -13.883 -2.605 -7.117 1.00 0.00 H new ATOM 0 HA GLU B 138 -11.855 -2.514 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -13.088 -5.118 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -11.400 -4.729 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -11.503 -4.981 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -11.600 -3.242 -6.311 1.00 0.00 H new ATOM 1935 N CYS B 139 -14.785 -3.394 -10.057 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.705 -3.781 -11.121 1.00 0.00 C ATOM 1937 C CYS B 139 -15.277 -3.235 -12.496 1.00 0.00 C ATOM 1938 O CYS B 139 -15.254 -3.961 -13.477 1.00 0.00 O ATOM 1939 CB CYS B 139 -17.073 -3.263 -10.735 1.00 0.00 C ATOM 1940 SG CYS B 139 -17.529 -3.725 -9.053 1.00 0.00 S ATOM 0 H CYS B 139 -15.266 -2.992 -9.252 1.00 0.00 H new ATOM 0 HA CYS B 139 -15.710 -4.866 -11.224 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -17.088 -2.177 -10.828 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -17.816 -3.652 -11.431 1.00 0.00 H new ATOM 0 HG CYS B 139 -18.708 -3.252 -8.778 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.945 -1.966 -12.548 1.00 0.00 N ATOM 1947 CA ASP B 140 -14.415 -1.337 -13.760 1.00 0.00 C ATOM 1948 C ASP B 140 -13.281 -0.493 -13.300 1.00 0.00 C ATOM 1949 O ASP B 140 -13.413 0.725 -13.130 1.00 0.00 O ATOM 1950 CB ASP B 140 -15.446 -0.446 -14.499 1.00 0.00 C ATOM 1951 CG ASP B 140 -16.656 -1.175 -15.017 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -16.566 -1.839 -16.062 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -17.746 -1.071 -14.402 1.00 0.00 O ATOM 0 H ASP B 140 -15.031 -1.330 -11.755 1.00 0.00 H new ATOM 0 HA ASP B 140 -14.129 -2.109 -14.475 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.776 0.341 -13.821 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -14.948 0.043 -15.336 1.00 0.00 H new ATOM 1958 N MET B 141 -12.207 -1.130 -12.987 1.00 0.00 N ATOM 1959 CA MET B 141 -11.158 -0.447 -12.298 1.00 0.00 C ATOM 1960 C MET B 141 -9.989 -0.072 -13.159 1.00 0.00 C ATOM 1961 O MET B 141 -9.391 0.895 -12.891 1.00 0.00 O ATOM 1962 CB MET B 141 -10.702 -1.249 -11.106 1.00 0.00 C ATOM 1963 CG MET B 141 -10.298 -0.396 -9.917 1.00 0.00 C ATOM 1964 SD MET B 141 -9.724 -1.389 -8.529 1.00 0.00 S ATOM 1965 CE MET B 141 -9.573 -0.140 -7.264 1.00 0.00 C ATOM 0 H MET B 141 -12.028 -2.113 -13.192 1.00 0.00 H new ATOM 0 HA MET B 141 -11.590 0.498 -11.968 1.00 0.00 H new ATOM 0 HB2 MET B 141 -11.504 -1.922 -10.803 1.00 0.00 H new ATOM 0 HB3 MET B 141 -9.857 -1.872 -11.400 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.510 0.294 -10.218 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.148 0.209 -9.601 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.746 -0.393 -6.600 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.383 0.827 -7.729 1.00 0.00 H new ATOM 0 HE3 MET B 141 -10.498 -0.091 -6.689 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.724 -0.837 -14.198 1.00 0.00 N ATOM 1976 CA GLU B 142 -8.496 -0.746 -15.059 1.00 0.00 C ATOM 1977 C GLU B 142 -7.869 0.682 -15.183 1.00 0.00 C ATOM 1978 O GLU B 142 -6.760 0.948 -14.662 1.00 0.00 O ATOM 1979 CB GLU B 142 -8.758 -1.324 -16.464 1.00 0.00 C ATOM 1980 CG GLU B 142 -9.331 -2.750 -16.497 1.00 0.00 C ATOM 1981 CD GLU B 142 -10.807 -2.812 -16.159 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -11.638 -2.664 -17.066 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -11.160 -2.986 -14.971 1.00 0.00 O ATOM 0 H GLU B 142 -10.361 -1.574 -14.502 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.756 -1.348 -14.532 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -9.448 -0.662 -16.987 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.822 -1.314 -17.022 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -9.175 -3.174 -17.489 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.778 -3.372 -15.794 1.00 0.00 H new ATOM 1990 N SER B 143 -8.589 1.593 -15.793 1.00 0.00 N ATOM 1991 CA SER B 143 -8.087 2.940 -16.018 1.00 0.00 C ATOM 1992 C SER B 143 -7.957 3.709 -14.692 1.00 0.00 C ATOM 1993 O SER B 143 -6.975 4.433 -14.457 1.00 0.00 O ATOM 1994 CB SER B 143 -9.027 3.648 -16.987 1.00 0.00 C ATOM 1995 OG SER B 143 -10.379 3.426 -16.605 1.00 0.00 O ATOM 0 H SER B 143 -9.532 1.430 -16.147 1.00 0.00 H new ATOM 0 HA SER B 143 -7.088 2.896 -16.452 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.814 4.717 -16.997 1.00 0.00 H new ATOM 0 HB3 SER B 143 -8.862 3.281 -18.000 1.00 0.00 H new ATOM 0 HG SER B 143 -10.976 3.886 -17.232 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.919 3.474 -13.824 1.00 0.00 N ATOM 2002 CA ILE B 144 -9.010 4.098 -12.517 1.00 0.00 C ATOM 2003 C ILE B 144 -7.820 3.670 -11.649 1.00 0.00 C ATOM 2004 O ILE B 144 -7.136 4.506 -11.081 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.334 3.677 -11.796 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -11.573 3.938 -12.686 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.480 4.370 -10.441 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.768 5.380 -13.108 1.00 0.00 C ATOM 0 H ILE B 144 -9.683 2.825 -14.013 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.002 5.179 -12.656 1.00 0.00 H new ATOM 0 HB ILE B 144 -10.274 2.604 -11.616 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -11.495 3.321 -13.581 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -12.463 3.609 -12.149 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.410 4.054 -9.969 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.639 4.100 -9.802 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -10.495 5.450 -10.585 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.661 5.460 -13.728 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -11.883 6.006 -12.223 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -10.900 5.713 -13.677 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.554 2.367 -11.619 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.518 1.810 -10.788 1.00 0.00 C ATOM 2022 C ILE B 145 -5.154 2.296 -11.247 1.00 0.00 C ATOM 2023 O ILE B 145 -4.350 2.674 -10.438 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.585 0.228 -10.667 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.601 -0.308 -9.625 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.364 -0.481 -11.986 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -5.948 0.056 -8.200 1.00 0.00 C ATOM 0 H ILE B 145 -8.058 1.676 -12.175 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.690 2.175 -9.775 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.602 0.011 -10.341 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -5.555 -1.394 -9.710 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -4.605 0.072 -9.853 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.422 -1.559 -11.834 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.130 -0.173 -12.698 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.380 -0.223 -12.378 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.201 -0.362 -7.525 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -5.965 1.141 -8.095 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.929 -0.348 -7.950 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.916 2.342 -12.547 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.650 2.881 -13.013 1.00 0.00 C ATOM 2041 C ARG B 146 -3.503 4.361 -12.622 1.00 0.00 C ATOM 2042 O ARG B 146 -2.558 4.733 -11.905 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.481 2.695 -14.534 1.00 0.00 C ATOM 2044 CG ARG B 146 -2.306 3.480 -15.145 1.00 0.00 C ATOM 2045 CD ARG B 146 -0.961 3.142 -14.504 1.00 0.00 C ATOM 2046 NE ARG B 146 -0.488 1.799 -14.831 1.00 0.00 N ATOM 2047 CZ ARG B 146 0.674 1.286 -14.411 1.00 0.00 C ATOM 2048 NH1 ARG B 146 1.328 1.860 -13.397 1.00 0.00 N ATOM 2049 NH2 ARG B 146 1.136 0.160 -14.950 1.00 0.00 N ATOM 0 H ARG B 146 -5.556 2.025 -13.275 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.855 2.319 -12.522 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.342 1.635 -14.745 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -4.403 3.000 -15.030 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -2.255 3.272 -16.214 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -2.495 4.548 -15.037 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.218 3.871 -14.828 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.048 3.236 -13.422 1.00 0.00 H new ATOM 0 HE ARG B 146 -1.083 1.214 -15.418 1.00 0.00 H new ATOM 0 HH11 ARG B 146 0.941 2.688 -12.944 1.00 0.00 H new ATOM 0 HH12 ARG B 146 2.214 1.470 -13.076 1.00 0.00 H new ATOM 0 HH21 ARG B 146 0.604 -0.311 -15.682 1.00 0.00 H new ATOM 0 HH22 ARG B 146 2.022 -0.232 -14.631 1.00 0.00 H new ATOM 2063 N SER B 147 -4.467 5.159 -13.038 1.00 0.00 N ATOM 2064 CA SER B 147 -4.421 6.593 -12.877 1.00 0.00 C ATOM 2065 C SER B 147 -4.393 7.020 -11.397 1.00 0.00 C ATOM 2066 O SER B 147 -3.527 7.802 -10.987 1.00 0.00 O ATOM 2067 CB SER B 147 -5.614 7.229 -13.619 1.00 0.00 C ATOM 2068 OG SER B 147 -5.554 8.644 -13.612 1.00 0.00 O ATOM 0 H SER B 147 -5.311 4.823 -13.502 1.00 0.00 H new ATOM 0 HA SER B 147 -3.489 6.953 -13.313 1.00 0.00 H new ATOM 0 HB2 SER B 147 -5.631 6.873 -14.649 1.00 0.00 H new ATOM 0 HB3 SER B 147 -6.545 6.904 -13.154 1.00 0.00 H new ATOM 0 HG SER B 147 -6.327 9.007 -14.094 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.309 6.505 -10.614 1.00 0.00 N ATOM 2075 CA GLU B 148 -5.437 6.931 -9.248 1.00 0.00 C ATOM 2076 C GLU B 148 -4.421 6.260 -8.317 1.00 0.00 C ATOM 2077 O GLU B 148 -3.876 6.923 -7.431 1.00 0.00 O ATOM 2078 CB GLU B 148 -6.897 6.778 -8.765 1.00 0.00 C ATOM 2079 CG GLU B 148 -7.179 7.333 -7.375 1.00 0.00 C ATOM 2080 CD GLU B 148 -8.661 7.502 -7.110 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -9.239 8.538 -7.548 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -9.276 6.666 -6.466 1.00 0.00 O ATOM 0 H GLU B 148 -5.976 5.789 -10.903 1.00 0.00 H new ATOM 0 HA GLU B 148 -5.192 7.992 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -7.553 7.276 -9.478 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -7.158 5.720 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -6.753 6.665 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -6.681 8.296 -7.263 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.115 4.978 -8.552 1.00 0.00 N ATOM 2090 CA LEU B 149 -3.239 4.244 -7.646 1.00 0.00 C ATOM 2091 C LEU B 149 -1.768 4.605 -7.865 1.00 0.00 C ATOM 2092 O LEU B 149 -1.103 4.965 -6.896 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.517 2.717 -7.716 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.973 1.758 -6.619 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -1.466 1.624 -6.622 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -3.483 2.146 -5.240 1.00 0.00 C ATOM 0 H LEU B 149 -4.456 4.440 -9.348 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.468 4.551 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.599 2.589 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.129 2.364 -8.671 1.00 0.00 H new ATOM 0 HG LEU B 149 -3.364 0.772 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -1.160 0.940 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -1.137 1.234 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -1.014 2.601 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -3.084 1.456 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -3.159 3.160 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -4.572 2.101 -5.229 1.00 0.00 H new ATOM 2108 N MET B 150 -1.239 4.542 -9.123 1.00 0.00 N ATOM 2109 CA MET B 150 0.184 4.900 -9.320 1.00 0.00 C ATOM 2110 C MET B 150 0.616 4.954 -10.812 1.00 0.00 C ATOM 2111 O MET B 150 0.369 4.021 -11.606 1.00 0.00 O ATOM 2112 CB MET B 150 1.165 3.966 -8.508 1.00 0.00 C ATOM 2113 CG MET B 150 1.559 2.645 -9.189 1.00 0.00 C ATOM 2114 SD MET B 150 0.198 1.528 -9.582 1.00 0.00 S ATOM 2115 CE MET B 150 1.131 0.199 -10.340 1.00 0.00 C ATOM 0 H MET B 150 -1.746 4.264 -9.963 1.00 0.00 H new ATOM 0 HA MET B 150 0.263 5.912 -8.924 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.075 4.527 -8.295 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.702 3.733 -7.549 1.00 0.00 H new ATOM 0 HG2 MET B 150 2.091 2.878 -10.112 1.00 0.00 H new ATOM 0 HG3 MET B 150 2.260 2.119 -8.541 1.00 0.00 H new ATOM 0 HE1 MET B 150 0.452 -0.458 -10.883 1.00 0.00 H new ATOM 0 HE2 MET B 150 1.863 0.617 -11.032 1.00 0.00 H new ATOM 0 HE3 MET B 150 1.647 -0.371 -9.567 1.00 0.00 H new ATOM 2125 N ASP B 151 1.261 6.044 -11.199 1.00 0.00 N ATOM 2126 CA ASP B 151 1.860 6.130 -12.522 1.00 0.00 C ATOM 2127 C ASP B 151 3.295 5.629 -12.420 1.00 0.00 C ATOM 2128 O ASP B 151 4.202 6.304 -11.907 1.00 0.00 O ATOM 2129 CB ASP B 151 1.767 7.549 -13.182 1.00 0.00 C ATOM 2130 CG ASP B 151 2.608 8.634 -12.527 1.00 0.00 C ATOM 2131 OD1 ASP B 151 2.293 9.051 -11.421 1.00 0.00 O ATOM 2132 OD2 ASP B 151 3.603 9.087 -13.111 1.00 0.00 O ATOM 0 H ASP B 151 1.383 6.875 -10.621 1.00 0.00 H new ATOM 0 HA ASP B 151 1.285 5.499 -13.200 1.00 0.00 H new ATOM 0 HB2 ASP B 151 2.065 7.464 -14.227 1.00 0.00 H new ATOM 0 HB3 ASP B 151 0.724 7.867 -13.173 1.00 0.00 H new ATOM 2137 N ALA B 152 3.459 4.400 -12.809 1.00 0.00 N ATOM 2138 CA ALA B 152 4.704 3.698 -12.732 1.00 0.00 C ATOM 2139 C ALA B 152 4.624 2.534 -13.683 1.00 0.00 C ATOM 2140 O ALA B 152 3.997 1.521 -13.333 1.00 0.00 O ATOM 2141 CB ALA B 152 4.969 3.211 -11.302 1.00 0.00 C ATOM 2142 OXT ALA B 152 5.130 2.650 -14.820 1.00 0.00 O ATOM 0 H ALA B 152 2.703 3.840 -13.202 1.00 0.00 H new ATOM 0 HA ALA B 152 5.528 4.358 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA B 152 5.921 2.681 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA B 152 5.007 4.066 -10.627 1.00 0.00 H new ATOM 0 HB3 ALA B 152 4.168 2.539 -10.992 1.00 0.00 H new TER 2148 ALA B 152