USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 993 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 89 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Set 2.1: A 81 GLN : amide:sc= 0.842 K(o=-3.2,f=-4.7) USER MOD Set 2.2: A 115 HIS : no HD1:sc= -4.02! C(o=-3.2!,f=-4.3!) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 82 TYR OH : rot -21:sc= 0.221 USER MOD Set 4.1: A 14 LYS NZ :NH3+ 157:sc= 2.97 (180deg=1.11) USER MOD Set 4.2: A 49 ASN : amide:sc= 1.04 K(o=4,f=-6.6!) USER MOD Set 5.1: A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -119:sc= 0.1 (180deg=-0.0133) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= 0.833 (180deg=-0.115) USER MOD Single : A 9 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.7) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0455 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 25:sc= 0.806 USER MOD Single : A 23 THR OG1 : rot 95:sc= 1.28 USER MOD Single : A 24 LYS NZ :NH3+ -114:sc= -0.0389 (180deg=-0.347) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 86:sc= 1.21 USER MOD Single : A 32 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.01) USER MOD Single : A 34 SER OG : rot 37:sc= 0.87 USER MOD Single : A 37 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 41 THR OG1 : rot 100:sc= 1.31 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= 2.33 (180deg=2.19) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 1.28 (180deg=0.85) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -166:sc= -0.86 (180deg=-1.3) USER MOD Single : A 80 LYS NZ :NH3+ -143:sc= 0.697 (180deg=-0.838!) USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 87 MET CE :methyl -150:sc= -1.47 (180deg=-3.29!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -0.0185 (180deg=-0.139) USER MOD Single : A 95 MET CE :methyl 168:sc= -2.88 (180deg=-3.6) USER MOD Single : A 99 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.0199 F(o=-1.3!,f=-0.02) USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= -0.0101 (180deg=-0.192) USER MOD Single : A 113 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.0046) USER MOD Single : A 117 HIS : no HD1:sc= 0.54 K(o=0.54,f=-1.7!) USER MOD Single : A 118 HIS : no HE2:sc= -0.557 K(o=-0.56,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -27.491 -1.499 -2.795 1.00 0.00 N ATOM 2 CA LYS A 1 -26.411 -2.315 -2.197 1.00 0.00 C ATOM 3 C LYS A 1 -25.725 -3.144 -3.270 1.00 0.00 C ATOM 4 O LYS A 1 -26.190 -3.212 -4.407 1.00 0.00 O ATOM 5 CB LYS A 1 -26.966 -3.251 -1.119 1.00 0.00 C ATOM 6 CG LYS A 1 -27.551 -2.537 0.086 1.00 0.00 C ATOM 7 CD LYS A 1 -27.996 -3.532 1.144 1.00 0.00 C ATOM 8 CE LYS A 1 -28.540 -2.834 2.377 1.00 0.00 C ATOM 9 NZ LYS A 1 -28.904 -3.801 3.445 1.00 0.00 N ATOM 0 H1 LYS A 1 -27.288 -0.490 -2.644 1.00 0.00 H new ATOM 0 H2 LYS A 1 -27.547 -1.691 -3.815 1.00 0.00 H new ATOM 0 H3 LYS A 1 -28.398 -1.741 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 1 -25.691 -1.635 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -27.737 -3.881 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -26.168 -3.913 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -26.809 -1.860 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -28.399 -1.927 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -28.762 -4.187 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -27.154 -4.165 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -27.794 -2.136 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -29.417 -2.247 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -29.271 -3.285 4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -29.634 -4.451 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -28.062 -4.344 3.723 1.00 0.00 H new ATOM 25 N SER A 2 -24.620 -3.767 -2.904 1.00 0.00 N ATOM 26 CA SER A 2 -23.917 -4.668 -3.796 1.00 0.00 C ATOM 27 C SER A 2 -24.026 -6.097 -3.269 1.00 0.00 C ATOM 28 O SER A 2 -24.176 -6.310 -2.063 1.00 0.00 O ATOM 29 CB SER A 2 -22.453 -4.243 -3.909 1.00 0.00 C ATOM 30 OG SER A 2 -22.352 -2.861 -4.217 1.00 0.00 O ATOM 0 H SER A 2 -24.187 -3.663 -1.986 1.00 0.00 H new ATOM 0 HA SER A 2 -24.366 -4.627 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.936 -4.450 -2.972 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.958 -4.830 -4.683 1.00 0.00 H new ATOM 0 HG SER A 2 -21.407 -2.609 -4.283 1.00 0.00 H new ATOM 36 N VAL A 3 -23.971 -7.069 -4.167 1.00 0.00 N ATOM 37 CA VAL A 3 -24.080 -8.468 -3.777 1.00 0.00 C ATOM 38 C VAL A 3 -22.750 -8.963 -3.228 1.00 0.00 C ATOM 39 O VAL A 3 -22.696 -9.624 -2.187 1.00 0.00 O ATOM 40 CB VAL A 3 -24.509 -9.358 -4.964 1.00 0.00 C ATOM 41 CG1 VAL A 3 -24.668 -10.805 -4.525 1.00 0.00 C ATOM 42 CG2 VAL A 3 -25.802 -8.844 -5.582 1.00 0.00 C ATOM 0 H VAL A 3 -23.852 -6.916 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 3 -24.847 -8.535 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.725 -9.314 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.971 -11.413 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -23.719 -11.173 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -25.429 -10.868 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -26.086 -9.485 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -26.593 -8.853 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.654 -7.826 -5.941 1.00 0.00 H new ATOM 52 N GLN A 4 -21.676 -8.622 -3.933 1.00 0.00 N ATOM 53 CA GLN A 4 -20.331 -9.006 -3.523 1.00 0.00 C ATOM 54 C GLN A 4 -19.968 -8.334 -2.200 1.00 0.00 C ATOM 55 O GLN A 4 -20.069 -8.946 -1.137 1.00 0.00 O ATOM 56 CB GLN A 4 -19.322 -8.634 -4.608 1.00 0.00 C ATOM 57 CG GLN A 4 -19.608 -9.283 -5.951 1.00 0.00 C ATOM 58 CD GLN A 4 -18.652 -8.822 -7.035 1.00 0.00 C ATOM 59 OE1 GLN A 4 -18.154 -7.694 -7.007 1.00 0.00 O ATOM 60 NE2 GLN A 4 -18.389 -9.686 -8.000 1.00 0.00 N ATOM 0 H GLN A 4 -21.712 -8.078 -4.795 1.00 0.00 H new ATOM 0 HA GLN A 4 -20.303 -10.086 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -19.316 -7.551 -4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -18.324 -8.923 -4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.541 -10.366 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -20.630 -9.054 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.820 -10.610 -7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.755 -9.429 -8.756 1.00 0.00 H new ATOM 69 N GLU A 5 -19.566 -7.072 -2.267 1.00 0.00 N ATOM 70 CA GLU A 5 -19.306 -6.299 -1.066 1.00 0.00 C ATOM 71 C GLU A 5 -20.615 -5.769 -0.501 1.00 0.00 C ATOM 72 O GLU A 5 -21.231 -4.862 -1.059 1.00 0.00 O ATOM 73 CB GLU A 5 -18.331 -5.156 -1.355 1.00 0.00 C ATOM 74 CG GLU A 5 -16.914 -5.639 -1.616 1.00 0.00 C ATOM 75 CD GLU A 5 -15.976 -4.525 -2.025 1.00 0.00 C ATOM 76 OE1 GLU A 5 -15.586 -3.723 -1.150 1.00 0.00 O ATOM 77 OE2 GLU A 5 -15.602 -4.466 -3.217 1.00 0.00 O ATOM 0 H GLU A 5 -19.414 -6.565 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.842 -6.948 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.683 -4.595 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.325 -4.468 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.528 -6.119 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.933 -6.397 -2.399 1.00 0.00 H new ATOM 84 N LYS A 6 -21.035 -6.355 0.610 1.00 0.00 N ATOM 85 CA LYS A 6 -22.341 -6.074 1.193 1.00 0.00 C ATOM 86 C LYS A 6 -22.322 -4.799 2.032 1.00 0.00 C ATOM 87 O LYS A 6 -23.268 -4.505 2.763 1.00 0.00 O ATOM 88 CB LYS A 6 -22.785 -7.276 2.018 1.00 0.00 C ATOM 89 CG LYS A 6 -22.906 -8.536 1.178 1.00 0.00 C ATOM 90 CD LYS A 6 -22.939 -9.793 2.025 1.00 0.00 C ATOM 91 CE LYS A 6 -22.949 -11.036 1.151 1.00 0.00 C ATOM 92 NZ LYS A 6 -21.825 -11.038 0.171 1.00 0.00 N ATOM 0 H LYS A 6 -20.484 -7.036 1.132 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.058 -5.904 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -22.070 -7.446 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.746 -7.059 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.813 -8.483 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.066 -8.590 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.072 -9.815 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -23.824 -9.784 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.882 -11.923 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.897 -11.096 0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.578 -12.019 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -22.114 -10.531 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.998 -10.566 0.590 1.00 0.00 H new ATOM 106 N ARG A 7 -21.236 -4.050 1.924 1.00 0.00 N ATOM 107 CA ARG A 7 -21.157 -2.724 2.506 1.00 0.00 C ATOM 108 C ARG A 7 -20.385 -1.818 1.560 1.00 0.00 C ATOM 109 O ARG A 7 -19.174 -1.969 1.390 1.00 0.00 O ATOM 110 CB ARG A 7 -20.499 -2.747 3.887 1.00 0.00 C ATOM 111 CG ARG A 7 -20.594 -1.412 4.609 1.00 0.00 C ATOM 112 CD ARG A 7 -20.077 -1.499 6.035 1.00 0.00 C ATOM 113 NE ARG A 7 -18.633 -1.712 6.096 1.00 0.00 N ATOM 114 CZ ARG A 7 -17.772 -0.800 6.549 1.00 0.00 C ATOM 115 NH1 ARG A 7 -18.204 0.414 6.868 1.00 0.00 N ATOM 116 NH2 ARG A 7 -16.486 -1.096 6.676 1.00 0.00 N ATOM 0 H ARG A 7 -20.391 -4.343 1.434 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.169 -2.342 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -20.971 -3.518 4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -19.450 -3.023 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -20.023 -0.662 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -21.632 -1.078 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.328 -0.580 6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.583 -2.314 6.552 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.263 -2.607 5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.192 0.647 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.548 1.114 7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.150 -2.026 6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.833 -0.394 7.023 1.00 0.00 H new ATOM 130 N ASN A 8 -21.100 -0.900 0.927 1.00 0.00 N ATOM 131 CA ASN A 8 -20.519 -0.034 -0.088 1.00 0.00 C ATOM 132 C ASN A 8 -19.591 0.994 0.544 1.00 0.00 C ATOM 133 O ASN A 8 -20.034 1.933 1.208 1.00 0.00 O ATOM 134 CB ASN A 8 -21.623 0.665 -0.890 1.00 0.00 C ATOM 135 CG ASN A 8 -21.082 1.458 -2.067 1.00 0.00 C ATOM 136 OD1 ASN A 8 -20.852 0.909 -3.143 1.00 0.00 O ATOM 137 ND2 ASN A 8 -20.904 2.759 -1.886 1.00 0.00 N ATOM 0 H ASN A 8 -22.092 -0.735 1.100 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.932 -0.652 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.329 -0.081 -1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -22.177 1.334 -0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.566 3.339 -2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.105 3.180 -0.979 1.00 0.00 H new ATOM 144 N ASN A 9 -18.301 0.793 0.353 1.00 0.00 N ATOM 145 CA ASN A 9 -17.302 1.710 0.869 1.00 0.00 C ATOM 146 C ASN A 9 -16.742 2.562 -0.257 1.00 0.00 C ATOM 147 O ASN A 9 -15.922 2.103 -1.051 1.00 0.00 O ATOM 148 CB ASN A 9 -16.166 0.952 1.567 1.00 0.00 C ATOM 149 CG ASN A 9 -16.597 0.326 2.880 1.00 0.00 C ATOM 150 OD1 ASN A 9 -17.459 0.852 3.583 1.00 0.00 O ATOM 151 ND2 ASN A 9 -16.005 -0.807 3.220 1.00 0.00 N ATOM 0 H ASN A 9 -17.918 -0.002 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.783 2.356 1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.794 0.172 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.338 1.636 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.259 -1.274 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.294 -1.214 2.612 1.00 0.00 H new ATOM 158 N THR A 10 -17.216 3.793 -0.348 1.00 0.00 N ATOM 159 CA THR A 10 -16.702 4.723 -1.334 1.00 0.00 C ATOM 160 C THR A 10 -15.367 5.276 -0.857 1.00 0.00 C ATOM 161 O THR A 10 -15.195 5.536 0.334 1.00 0.00 O ATOM 162 CB THR A 10 -17.696 5.875 -1.577 1.00 0.00 C ATOM 163 OG1 THR A 10 -19.003 5.338 -1.819 1.00 0.00 O ATOM 164 CG2 THR A 10 -17.270 6.725 -2.768 1.00 0.00 C ATOM 0 H THR A 10 -17.954 4.169 0.248 1.00 0.00 H new ATOM 0 HA THR A 10 -16.564 4.194 -2.277 1.00 0.00 H new ATOM 0 HB THR A 10 -17.710 6.507 -0.689 1.00 0.00 H new ATOM 0 HG1 THR A 10 -19.635 6.071 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.990 7.530 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.284 7.150 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.231 6.104 -3.663 1.00 0.00 H new ATOM 172 N ARG A 11 -14.429 5.423 -1.789 1.00 0.00 N ATOM 173 CA ARG A 11 -13.078 5.880 -1.478 1.00 0.00 C ATOM 174 C ARG A 11 -12.323 4.816 -0.687 1.00 0.00 C ATOM 175 O ARG A 11 -11.367 5.115 0.025 1.00 0.00 O ATOM 176 CB ARG A 11 -13.101 7.208 -0.708 1.00 0.00 C ATOM 177 CG ARG A 11 -13.760 8.346 -1.472 1.00 0.00 C ATOM 178 CD ARG A 11 -13.538 9.686 -0.782 1.00 0.00 C ATOM 179 NE ARG A 11 -14.270 10.769 -1.437 1.00 0.00 N ATOM 180 CZ ARG A 11 -13.812 11.458 -2.482 1.00 0.00 C ATOM 181 NH1 ARG A 11 -12.653 11.136 -3.044 1.00 0.00 N ATOM 182 NH2 ARG A 11 -14.525 12.463 -2.972 1.00 0.00 N ATOM 0 H ARG A 11 -14.584 5.229 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.557 6.050 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.628 7.062 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.078 7.492 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.358 8.386 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.829 8.154 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.853 9.614 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.473 9.919 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.190 11.013 -1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.107 10.357 -2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.309 11.668 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.421 12.707 -2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.178 12.993 -3.772 1.00 0.00 H new ATOM 196 N ALA A 12 -12.750 3.563 -0.839 1.00 0.00 N ATOM 197 CA ALA A 12 -12.096 2.447 -0.172 1.00 0.00 C ATOM 198 C ALA A 12 -10.665 2.288 -0.669 1.00 0.00 C ATOM 199 O ALA A 12 -10.404 2.379 -1.871 1.00 0.00 O ATOM 200 CB ALA A 12 -12.878 1.163 -0.396 1.00 0.00 C ATOM 0 H ALA A 12 -13.546 3.299 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.068 2.656 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.376 0.338 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.885 1.275 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.935 0.953 -1.464 1.00 0.00 H new ATOM 206 N PHE A 13 -9.753 2.032 0.266 1.00 0.00 N ATOM 207 CA PHE A 13 -8.325 1.953 -0.026 1.00 0.00 C ATOM 208 C PHE A 13 -8.033 1.021 -1.198 1.00 0.00 C ATOM 209 O PHE A 13 -7.326 1.398 -2.120 1.00 0.00 O ATOM 210 CB PHE A 13 -7.554 1.477 1.212 1.00 0.00 C ATOM 211 CG PHE A 13 -6.056 1.568 1.069 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.340 0.569 0.423 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.364 2.653 1.584 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.967 0.653 0.294 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.991 2.740 1.460 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.292 1.739 0.814 1.00 0.00 C ATOM 0 H PHE A 13 -9.984 1.874 1.247 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.996 2.955 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.864 2.071 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.827 0.443 1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.863 -0.284 0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.905 3.440 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.423 -0.130 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.464 3.590 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.219 1.806 0.716 1.00 0.00 H new ATOM 226 N LYS A 14 -8.589 -0.188 -1.166 1.00 0.00 N ATOM 227 CA LYS A 14 -8.273 -1.190 -2.185 1.00 0.00 C ATOM 228 C LYS A 14 -8.754 -0.752 -3.570 1.00 0.00 C ATOM 229 O LYS A 14 -8.109 -1.034 -4.577 1.00 0.00 O ATOM 230 CB LYS A 14 -8.873 -2.554 -1.820 1.00 0.00 C ATOM 231 CG LYS A 14 -10.395 -2.577 -1.751 1.00 0.00 C ATOM 232 CD LYS A 14 -10.916 -3.990 -1.540 1.00 0.00 C ATOM 233 CE LYS A 14 -12.435 -4.048 -1.600 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.078 -3.407 -0.423 1.00 0.00 N ATOM 0 H LYS A 14 -9.253 -0.497 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.188 -1.286 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.544 -3.290 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.473 -2.866 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.734 -1.936 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.809 -2.168 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.497 -4.649 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.576 -4.362 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.778 -3.556 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.753 -5.089 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.047 -3.121 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.107 -4.082 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.531 -2.568 -0.142 1.00 0.00 H new ATOM 248 N THR A 15 -9.875 -0.049 -3.608 1.00 0.00 N ATOM 249 CA THR A 15 -10.438 0.430 -4.859 1.00 0.00 C ATOM 250 C THR A 15 -9.594 1.576 -5.415 1.00 0.00 C ATOM 251 O THR A 15 -9.266 1.614 -6.604 1.00 0.00 O ATOM 252 CB THR A 15 -11.882 0.911 -4.635 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.554 0.006 -3.749 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.643 0.995 -5.947 1.00 0.00 C ATOM 0 H THR A 15 -10.415 0.203 -2.781 1.00 0.00 H new ATOM 0 HA THR A 15 -10.439 -0.390 -5.578 1.00 0.00 H new ATOM 0 HB THR A 15 -11.847 1.908 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.474 0.312 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.660 1.338 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.142 1.697 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.673 0.010 -6.414 1.00 0.00 H new ATOM 262 N VAL A 16 -9.225 2.490 -4.532 1.00 0.00 N ATOM 263 CA VAL A 16 -8.414 3.640 -4.899 1.00 0.00 C ATOM 264 C VAL A 16 -6.981 3.220 -5.215 1.00 0.00 C ATOM 265 O VAL A 16 -6.323 3.795 -6.083 1.00 0.00 O ATOM 266 CB VAL A 16 -8.435 4.690 -3.768 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.489 5.843 -4.059 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.849 5.201 -3.574 1.00 0.00 C ATOM 0 H VAL A 16 -9.478 2.456 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.839 4.086 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.093 4.211 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.530 6.563 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.472 5.463 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.785 6.331 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.862 5.942 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.201 5.658 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.503 4.370 -3.309 1.00 0.00 H new ATOM 278 N ALA A 17 -6.503 2.203 -4.519 1.00 0.00 N ATOM 279 CA ALA A 17 -5.186 1.655 -4.792 1.00 0.00 C ATOM 280 C ALA A 17 -5.171 0.948 -6.139 1.00 0.00 C ATOM 281 O ALA A 17 -4.135 0.863 -6.790 1.00 0.00 O ATOM 282 CB ALA A 17 -4.758 0.705 -3.689 1.00 0.00 C ATOM 0 H ALA A 17 -7.006 1.741 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.475 2.480 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.769 0.307 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.726 1.240 -2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.472 -0.116 -3.618 1.00 0.00 H new ATOM 288 N LYS A 18 -6.328 0.446 -6.559 1.00 0.00 N ATOM 289 CA LYS A 18 -6.441 -0.209 -7.853 1.00 0.00 C ATOM 290 C LYS A 18 -6.314 0.812 -8.977 1.00 0.00 C ATOM 291 O LYS A 18 -5.656 0.558 -9.987 1.00 0.00 O ATOM 292 CB LYS A 18 -7.763 -0.968 -7.979 1.00 0.00 C ATOM 293 CG LYS A 18 -7.879 -1.753 -9.275 1.00 0.00 C ATOM 294 CD LYS A 18 -9.186 -2.519 -9.358 1.00 0.00 C ATOM 295 CE LYS A 18 -9.247 -3.358 -10.623 1.00 0.00 C ATOM 296 NZ LYS A 18 -10.518 -4.118 -10.728 1.00 0.00 N ATOM 0 H LYS A 18 -7.195 0.481 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.628 -0.931 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.864 -1.652 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.589 -0.260 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.804 -1.070 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.044 -2.450 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.290 -3.163 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.023 -1.821 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.140 -2.710 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.407 -4.053 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.517 -4.676 -11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.609 -4.756 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.319 -3.455 -10.741 1.00 0.00 H new ATOM 310 N SER A 19 -6.934 1.974 -8.803 1.00 0.00 N ATOM 311 CA SER A 19 -6.815 3.036 -9.791 1.00 0.00 C ATOM 312 C SER A 19 -5.413 3.640 -9.747 1.00 0.00 C ATOM 313 O SER A 19 -4.845 4.007 -10.778 1.00 0.00 O ATOM 314 CB SER A 19 -7.889 4.098 -9.565 1.00 0.00 C ATOM 315 OG SER A 19 -8.066 4.370 -8.187 1.00 0.00 O ATOM 0 H SER A 19 -7.517 2.202 -7.997 1.00 0.00 H new ATOM 0 HA SER A 19 -6.970 2.616 -10.785 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.611 5.015 -10.085 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.832 3.761 -9.995 1.00 0.00 H new ATOM 0 HG SER A 19 -7.242 4.154 -7.703 1.00 0.00 H new ATOM 321 N TRP A 20 -4.857 3.717 -8.546 1.00 0.00 N ATOM 322 CA TRP A 20 -3.465 4.111 -8.348 1.00 0.00 C ATOM 323 C TRP A 20 -2.540 3.145 -9.087 1.00 0.00 C ATOM 324 O TRP A 20 -1.587 3.561 -9.749 1.00 0.00 O ATOM 325 CB TRP A 20 -3.155 4.121 -6.844 1.00 0.00 C ATOM 326 CG TRP A 20 -1.705 4.301 -6.495 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.044 5.479 -6.301 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.745 3.258 -6.271 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.269 5.234 -5.975 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.476 3.877 -5.949 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.802 1.859 -6.311 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.630 3.147 -5.670 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.344 1.137 -6.036 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.545 1.781 -5.718 1.00 0.00 C ATOM 0 H TRP A 20 -5.356 3.509 -7.681 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.302 5.111 -8.750 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.728 4.921 -6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.504 3.184 -6.410 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.487 6.460 -6.390 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.975 5.945 -5.784 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.725 1.353 -6.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.558 3.641 -5.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.312 0.058 -6.067 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.423 1.189 -5.506 1.00 0.00 H new ATOM 345 N PHE A 21 -2.849 1.861 -8.968 1.00 0.00 N ATOM 346 CA PHE A 21 -2.110 0.799 -9.637 1.00 0.00 C ATOM 347 C PHE A 21 -2.223 0.928 -11.154 1.00 0.00 C ATOM 348 O PHE A 21 -1.232 0.805 -11.871 1.00 0.00 O ATOM 349 CB PHE A 21 -2.657 -0.555 -9.172 1.00 0.00 C ATOM 350 CG PHE A 21 -2.062 -1.750 -9.861 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.786 -2.187 -9.546 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.794 -2.451 -10.807 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.250 -3.299 -10.163 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.261 -3.562 -11.431 1.00 0.00 C ATOM 355 CZ PHE A 21 -0.988 -3.987 -11.107 1.00 0.00 C ATOM 0 H PHE A 21 -3.626 1.524 -8.400 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.054 0.878 -9.377 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.486 -0.650 -8.100 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.736 -0.566 -9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.204 -1.652 -8.810 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.792 -2.125 -11.059 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.746 -3.631 -9.908 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.839 -4.097 -12.170 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.569 -4.857 -11.591 1.00 0.00 H new ATOM 365 N ALA A 22 -3.433 1.194 -11.632 1.00 0.00 N ATOM 366 CA ALA A 22 -3.680 1.345 -13.062 1.00 0.00 C ATOM 367 C ALA A 22 -3.003 2.601 -13.613 1.00 0.00 C ATOM 368 O ALA A 22 -2.706 2.690 -14.805 1.00 0.00 O ATOM 369 CB ALA A 22 -5.175 1.383 -13.335 1.00 0.00 C ATOM 0 H ALA A 22 -4.261 1.310 -11.048 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.249 0.484 -13.573 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.347 1.496 -14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.632 0.455 -12.990 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.620 2.225 -12.805 1.00 0.00 H new ATOM 375 N THR A 23 -2.758 3.566 -12.740 1.00 0.00 N ATOM 376 CA THR A 23 -2.105 4.805 -13.130 1.00 0.00 C ATOM 377 C THR A 23 -0.592 4.716 -12.872 1.00 0.00 C ATOM 378 O THR A 23 0.148 5.691 -13.008 1.00 0.00 O ATOM 379 CB THR A 23 -2.721 6.002 -12.365 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.153 5.933 -12.445 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.261 7.335 -12.938 1.00 0.00 C ATOM 0 H THR A 23 -3.003 3.514 -11.751 1.00 0.00 H new ATOM 0 HA THR A 23 -2.262 4.962 -14.197 1.00 0.00 H new ATOM 0 HB THR A 23 -2.388 5.941 -11.329 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.504 5.482 -11.649 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.715 8.150 -12.374 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.176 7.406 -12.868 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.562 7.405 -13.983 1.00 0.00 H new ATOM 389 N LYS A 24 -0.131 3.531 -12.501 1.00 0.00 N ATOM 390 CA LYS A 24 1.288 3.310 -12.268 1.00 0.00 C ATOM 391 C LYS A 24 1.987 2.815 -13.526 1.00 0.00 C ATOM 392 O LYS A 24 1.904 1.645 -13.876 1.00 0.00 O ATOM 393 CB LYS A 24 1.506 2.328 -11.117 1.00 0.00 C ATOM 394 CG LYS A 24 1.559 3.008 -9.763 1.00 0.00 C ATOM 395 CD LYS A 24 2.837 3.816 -9.608 1.00 0.00 C ATOM 396 CE LYS A 24 2.702 4.871 -8.526 1.00 0.00 C ATOM 397 NZ LYS A 24 1.766 5.953 -8.932 1.00 0.00 N ATOM 0 H LYS A 24 -0.717 2.709 -12.355 1.00 0.00 H new ATOM 0 HA LYS A 24 1.727 4.269 -11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.702 1.592 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.436 1.784 -11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.695 3.662 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.500 2.259 -8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.663 3.148 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.083 4.295 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.346 4.407 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.681 5.298 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.291 6.845 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.320 5.705 -9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.031 6.067 -8.205 1.00 0.00 H new ATOM 411 N THR A 25 2.658 3.725 -14.210 1.00 0.00 N ATOM 412 CA THR A 25 3.459 3.372 -15.370 1.00 0.00 C ATOM 413 C THR A 25 4.941 3.562 -15.065 1.00 0.00 C ATOM 414 O THR A 25 5.788 3.565 -15.961 1.00 0.00 O ATOM 415 CB THR A 25 3.059 4.217 -16.594 1.00 0.00 C ATOM 416 OG1 THR A 25 2.852 5.586 -16.203 1.00 0.00 O ATOM 417 CG2 THR A 25 1.793 3.668 -17.236 1.00 0.00 C ATOM 0 H THR A 25 2.664 4.719 -13.981 1.00 0.00 H new ATOM 0 HA THR A 25 3.275 2.323 -15.603 1.00 0.00 H new ATOM 0 HB THR A 25 3.868 4.169 -17.323 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.600 6.116 -16.988 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.528 4.279 -18.099 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.964 2.641 -17.558 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.979 3.690 -16.512 1.00 0.00 H new ATOM 425 N THR A 26 5.240 3.716 -13.781 1.00 0.00 N ATOM 426 CA THR A 26 6.603 3.907 -13.319 1.00 0.00 C ATOM 427 C THR A 26 7.382 2.601 -13.413 1.00 0.00 C ATOM 428 O THR A 26 8.503 2.561 -13.920 1.00 0.00 O ATOM 429 CB THR A 26 6.610 4.406 -11.864 1.00 0.00 C ATOM 430 OG1 THR A 26 5.584 5.395 -11.689 1.00 0.00 O ATOM 431 CG2 THR A 26 7.964 4.997 -11.497 1.00 0.00 C ATOM 0 H THR A 26 4.544 3.712 -13.035 1.00 0.00 H new ATOM 0 HA THR A 26 7.078 4.654 -13.955 1.00 0.00 H new ATOM 0 HB THR A 26 6.418 3.558 -11.207 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.589 5.711 -10.761 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.942 5.342 -10.463 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.736 4.235 -11.609 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.185 5.837 -12.156 1.00 0.00 H new ATOM 439 N TRP A 27 6.766 1.533 -12.937 1.00 0.00 N ATOM 440 CA TRP A 27 7.365 0.211 -12.998 1.00 0.00 C ATOM 441 C TRP A 27 6.858 -0.535 -14.222 1.00 0.00 C ATOM 442 O TRP A 27 5.930 -0.079 -14.895 1.00 0.00 O ATOM 443 CB TRP A 27 7.030 -0.596 -11.739 1.00 0.00 C ATOM 444 CG TRP A 27 7.585 -0.015 -10.473 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.904 0.135 -10.148 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.838 0.469 -9.349 1.00 0.00 C ATOM 447 NE1 TRP A 27 9.023 0.690 -8.898 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.770 0.906 -8.387 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.473 0.582 -9.065 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.379 1.442 -7.160 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.087 1.115 -7.849 1.00 0.00 C ATOM 452 CH2 TRP A 27 6.037 1.539 -6.910 1.00 0.00 C ATOM 0 H TRP A 27 5.844 1.556 -12.501 1.00 0.00 H new ATOM 0 HA TRP A 27 8.446 0.331 -13.064 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.947 -0.672 -11.647 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.411 -1.610 -11.858 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.733 -0.143 -10.783 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.901 0.906 -8.426 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.734 0.259 -9.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.109 1.769 -6.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.036 1.206 -7.619 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.703 1.951 -5.969 1.00 0.00 H new ATOM 463 N SER A 28 7.468 -1.667 -14.511 1.00 0.00 N ATOM 464 CA SER A 28 6.995 -2.534 -15.571 1.00 0.00 C ATOM 465 C SER A 28 5.951 -3.497 -15.015 1.00 0.00 C ATOM 466 O SER A 28 5.894 -3.718 -13.803 1.00 0.00 O ATOM 467 CB SER A 28 8.172 -3.286 -16.184 1.00 0.00 C ATOM 468 OG SER A 28 9.076 -3.702 -15.177 1.00 0.00 O ATOM 0 H SER A 28 8.296 -2.009 -14.024 1.00 0.00 H new ATOM 0 HA SER A 28 6.527 -1.939 -16.356 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.809 -4.153 -16.735 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.687 -2.645 -16.900 1.00 0.00 H new ATOM 0 HG SER A 28 8.781 -4.560 -14.807 1.00 0.00 H new ATOM 474 N GLU A 29 5.132 -4.068 -15.890 1.00 0.00 N ATOM 475 CA GLU A 29 4.009 -4.893 -15.459 1.00 0.00 C ATOM 476 C GLU A 29 4.450 -6.131 -14.681 1.00 0.00 C ATOM 477 O GLU A 29 3.686 -6.657 -13.876 1.00 0.00 O ATOM 478 CB GLU A 29 3.151 -5.310 -16.647 1.00 0.00 C ATOM 479 CG GLU A 29 2.428 -4.152 -17.311 1.00 0.00 C ATOM 480 CD GLU A 29 1.292 -4.622 -18.186 1.00 0.00 C ATOM 481 OE1 GLU A 29 0.169 -4.784 -17.665 1.00 0.00 O ATOM 482 OE2 GLU A 29 1.518 -4.856 -19.390 1.00 0.00 O ATOM 0 H GLU A 29 5.224 -3.975 -16.902 1.00 0.00 H new ATOM 0 HA GLU A 29 3.418 -4.274 -14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.783 -5.804 -17.385 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.416 -6.043 -16.314 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.042 -3.479 -16.546 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.135 -3.579 -17.911 1.00 0.00 H new ATOM 489 N ASP A 30 5.669 -6.602 -14.912 1.00 0.00 N ATOM 490 CA ASP A 30 6.178 -7.748 -14.166 1.00 0.00 C ATOM 491 C ASP A 30 6.343 -7.372 -12.694 1.00 0.00 C ATOM 492 O ASP A 30 5.965 -8.129 -11.792 1.00 0.00 O ATOM 493 CB ASP A 30 7.505 -8.251 -14.756 1.00 0.00 C ATOM 494 CG ASP A 30 8.678 -7.336 -14.465 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.605 -6.144 -14.809 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.684 -7.813 -13.897 1.00 0.00 O ATOM 0 H ASP A 30 6.316 -6.216 -15.599 1.00 0.00 H new ATOM 0 HA ASP A 30 5.458 -8.562 -14.245 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.719 -9.242 -14.357 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.397 -8.359 -15.835 1.00 0.00 H new ATOM 501 N TYR A 31 6.873 -6.179 -12.455 1.00 0.00 N ATOM 502 CA TYR A 31 7.043 -5.685 -11.101 1.00 0.00 C ATOM 503 C TYR A 31 5.698 -5.228 -10.551 1.00 0.00 C ATOM 504 O TYR A 31 5.418 -5.382 -9.368 1.00 0.00 O ATOM 505 CB TYR A 31 8.058 -4.539 -11.055 1.00 0.00 C ATOM 506 CG TYR A 31 8.611 -4.284 -9.669 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.694 -5.013 -9.193 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.051 -3.322 -8.837 1.00 0.00 C ATOM 509 CE1 TYR A 31 10.203 -4.791 -7.928 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.557 -3.094 -7.570 1.00 0.00 C ATOM 511 CZ TYR A 31 9.633 -3.831 -7.121 1.00 0.00 C ATOM 512 OH TYR A 31 10.140 -3.613 -5.859 1.00 0.00 O ATOM 0 H TYR A 31 7.191 -5.539 -13.183 1.00 0.00 H new ATOM 0 HA TYR A 31 7.429 -6.495 -10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.882 -4.766 -11.731 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.585 -3.629 -11.423 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.145 -5.766 -9.822 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.208 -2.744 -9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.044 -5.368 -7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.112 -2.342 -6.935 1.00 0.00 H new ATOM 0 HH TYR A 31 9.628 -2.903 -5.419 1.00 0.00 H new ATOM 522 N GLN A 32 4.859 -4.680 -11.423 1.00 0.00 N ATOM 523 CA GLN A 32 3.503 -4.308 -11.040 1.00 0.00 C ATOM 524 C GLN A 32 2.733 -5.531 -10.573 1.00 0.00 C ATOM 525 O GLN A 32 1.969 -5.465 -9.613 1.00 0.00 O ATOM 526 CB GLN A 32 2.761 -3.651 -12.199 1.00 0.00 C ATOM 527 CG GLN A 32 3.219 -2.239 -12.499 1.00 0.00 C ATOM 528 CD GLN A 32 2.331 -1.562 -13.516 1.00 0.00 C ATOM 529 OE1 GLN A 32 2.596 -1.590 -14.717 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.245 -0.980 -13.038 1.00 0.00 N ATOM 0 H GLN A 32 5.093 -4.484 -12.396 1.00 0.00 H new ATOM 0 HA GLN A 32 3.575 -3.589 -10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.889 -4.262 -13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.695 -3.636 -11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.226 -1.656 -11.578 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.244 -2.261 -12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.066 -0.981 -12.034 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.586 -0.530 -13.673 1.00 0.00 H new ATOM 539 N ARG A 33 2.945 -6.649 -11.256 1.00 0.00 N ATOM 540 CA ARG A 33 2.334 -7.908 -10.872 1.00 0.00 C ATOM 541 C ARG A 33 2.726 -8.281 -9.447 1.00 0.00 C ATOM 542 O ARG A 33 1.866 -8.628 -8.637 1.00 0.00 O ATOM 543 CB ARG A 33 2.723 -9.022 -11.849 1.00 0.00 C ATOM 544 CG ARG A 33 2.253 -10.400 -11.421 1.00 0.00 C ATOM 545 CD ARG A 33 2.459 -11.425 -12.522 1.00 0.00 C ATOM 546 NE ARG A 33 2.256 -12.787 -12.039 1.00 0.00 N ATOM 547 CZ ARG A 33 1.090 -13.434 -12.080 1.00 0.00 C ATOM 548 NH1 ARG A 33 -0.002 -12.831 -12.541 1.00 0.00 N ATOM 549 NH2 ARG A 33 1.015 -14.680 -11.634 1.00 0.00 N ATOM 0 H ARG A 33 3.540 -6.706 -12.083 1.00 0.00 H new ATOM 0 HA ARG A 33 1.251 -7.787 -10.910 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.307 -8.794 -12.830 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.807 -9.035 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.796 -10.710 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.197 -10.359 -11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.768 -11.223 -13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.467 -11.329 -12.924 1.00 0.00 H new ATOM 0 HE ARG A 33 3.059 -13.277 -11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.048 -11.866 -12.867 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.889 -13.334 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.846 -15.139 -11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.126 -15.179 -11.663 1.00 0.00 H new ATOM 563 N SER A 34 4.013 -8.195 -9.128 1.00 0.00 N ATOM 564 CA SER A 34 4.455 -8.471 -7.768 1.00 0.00 C ATOM 565 C SER A 34 3.925 -7.416 -6.795 1.00 0.00 C ATOM 566 O SER A 34 3.513 -7.751 -5.687 1.00 0.00 O ATOM 567 CB SER A 34 5.980 -8.577 -7.696 1.00 0.00 C ATOM 568 OG SER A 34 6.600 -7.746 -8.654 1.00 0.00 O ATOM 0 H SER A 34 4.756 -7.941 -9.780 1.00 0.00 H new ATOM 0 HA SER A 34 4.043 -9.435 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.319 -8.300 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.282 -9.611 -7.859 1.00 0.00 H new ATOM 0 HG SER A 34 6.095 -6.911 -8.738 1.00 0.00 H new ATOM 574 N VAL A 35 3.914 -6.149 -7.218 1.00 0.00 N ATOM 575 CA VAL A 35 3.336 -5.073 -6.407 1.00 0.00 C ATOM 576 C VAL A 35 1.891 -5.397 -6.039 1.00 0.00 C ATOM 577 O VAL A 35 1.528 -5.409 -4.862 1.00 0.00 O ATOM 578 CB VAL A 35 3.375 -3.701 -7.133 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.626 -2.641 -6.336 1.00 0.00 C ATOM 580 CG2 VAL A 35 4.807 -3.257 -7.364 1.00 0.00 C ATOM 0 H VAL A 35 4.297 -5.844 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 35 3.946 -5.001 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 35 2.883 -3.822 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.668 -1.690 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.586 -2.943 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.087 -2.530 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.811 -2.294 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.318 -3.163 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.322 -3.995 -7.979 1.00 0.00 H new ATOM 590 N TRP A 36 1.088 -5.684 -7.055 1.00 0.00 N ATOM 591 CA TRP A 36 -0.325 -5.992 -6.876 1.00 0.00 C ATOM 592 C TRP A 36 -0.505 -7.215 -5.978 1.00 0.00 C ATOM 593 O TRP A 36 -1.339 -7.214 -5.070 1.00 0.00 O ATOM 594 CB TRP A 36 -0.972 -6.223 -8.246 1.00 0.00 C ATOM 595 CG TRP A 36 -2.451 -6.450 -8.197 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.106 -7.606 -8.496 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.460 -5.498 -7.833 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.459 -7.439 -8.338 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.702 -6.153 -7.932 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.435 -4.159 -7.431 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.906 -5.516 -7.645 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.632 -3.528 -7.149 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.852 -4.206 -7.256 1.00 0.00 C ATOM 0 H TRP A 36 1.398 -5.710 -8.027 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.814 -5.149 -6.387 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.769 -5.361 -8.881 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.499 -7.084 -8.718 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.629 -8.522 -8.812 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.168 -8.155 -8.497 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.499 -3.628 -7.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.848 -6.037 -7.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.626 -2.493 -6.840 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.769 -3.684 -7.027 1.00 0.00 H new ATOM 614 N THR A 37 0.300 -8.245 -6.219 1.00 0.00 N ATOM 615 CA THR A 37 0.237 -9.467 -5.427 1.00 0.00 C ATOM 616 C THR A 37 0.595 -9.191 -3.963 1.00 0.00 C ATOM 617 O THR A 37 -0.071 -9.681 -3.052 1.00 0.00 O ATOM 618 CB THR A 37 1.171 -10.557 -5.996 1.00 0.00 C ATOM 619 OG1 THR A 37 0.914 -10.736 -7.397 1.00 0.00 O ATOM 620 CG2 THR A 37 0.968 -11.883 -5.275 1.00 0.00 C ATOM 0 H THR A 37 1.004 -8.257 -6.957 1.00 0.00 H new ATOM 0 HA THR A 37 -0.789 -9.831 -5.478 1.00 0.00 H new ATOM 0 HB THR A 37 2.201 -10.232 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.453 -10.101 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.638 -12.632 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.185 -11.757 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.065 -12.210 -5.398 1.00 0.00 H new ATOM 628 N ARG A 38 1.633 -8.389 -3.741 1.00 0.00 N ATOM 629 CA ARG A 38 2.037 -8.022 -2.387 1.00 0.00 C ATOM 630 C ARG A 38 0.931 -7.233 -1.696 1.00 0.00 C ATOM 631 O ARG A 38 0.660 -7.429 -0.511 1.00 0.00 O ATOM 632 CB ARG A 38 3.331 -7.199 -2.409 1.00 0.00 C ATOM 633 CG ARG A 38 4.550 -7.988 -2.862 1.00 0.00 C ATOM 634 CD ARG A 38 5.775 -7.096 -3.018 1.00 0.00 C ATOM 635 NE ARG A 38 6.932 -7.845 -3.514 1.00 0.00 N ATOM 636 CZ ARG A 38 8.007 -7.293 -4.080 1.00 0.00 C ATOM 637 NH1 ARG A 38 8.117 -5.973 -4.188 1.00 0.00 N ATOM 638 NH2 ARG A 38 8.981 -8.069 -4.533 1.00 0.00 N ATOM 0 H ARG A 38 2.208 -7.982 -4.479 1.00 0.00 H new ATOM 0 HA ARG A 38 2.218 -8.940 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.196 -6.344 -3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.516 -6.803 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.763 -8.775 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.334 -8.478 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.547 -6.282 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.020 -6.643 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 38 6.915 -8.861 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.374 -5.369 -3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.944 -5.564 -4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.907 -9.083 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.805 -7.653 -4.967 1.00 0.00 H new ATOM 652 N LEU A 39 0.281 -6.359 -2.451 1.00 0.00 N ATOM 653 CA LEU A 39 -0.797 -5.539 -1.921 1.00 0.00 C ATOM 654 C LEU A 39 -1.963 -6.401 -1.441 1.00 0.00 C ATOM 655 O LEU A 39 -2.367 -6.308 -0.282 1.00 0.00 O ATOM 656 CB LEU A 39 -1.279 -4.543 -2.975 1.00 0.00 C ATOM 657 CG LEU A 39 -0.278 -3.446 -3.342 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.819 -2.585 -4.474 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.045 -2.590 -2.126 1.00 0.00 C ATOM 0 H LEU A 39 0.484 -6.200 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.407 -4.988 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.538 -5.093 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.194 -4.072 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 39 0.642 -3.920 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.093 -1.810 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.998 -3.207 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.754 -2.120 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.759 -1.815 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.869 -2.125 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.477 -3.216 -1.345 1.00 0.00 H new ATOM 671 N GLU A 40 -2.481 -7.258 -2.320 1.00 0.00 N ATOM 672 CA GLU A 40 -3.651 -8.075 -1.996 1.00 0.00 C ATOM 673 C GLU A 40 -3.340 -9.106 -0.910 1.00 0.00 C ATOM 674 O GLU A 40 -4.233 -9.541 -0.181 1.00 0.00 O ATOM 675 CB GLU A 40 -4.186 -8.787 -3.246 1.00 0.00 C ATOM 676 CG GLU A 40 -3.182 -9.724 -3.898 1.00 0.00 C ATOM 677 CD GLU A 40 -3.804 -10.593 -4.972 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.202 -10.056 -6.022 1.00 0.00 O ATOM 679 OE2 GLU A 40 -3.914 -11.821 -4.762 1.00 0.00 O ATOM 0 H GLU A 40 -2.111 -7.405 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.415 -7.398 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.076 -9.355 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.495 -8.038 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.374 -9.137 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.737 -10.361 -3.134 1.00 0.00 H new ATOM 686 N THR A 41 -2.079 -9.495 -0.805 1.00 0.00 N ATOM 687 CA THR A 41 -1.681 -10.504 0.161 1.00 0.00 C ATOM 688 C THR A 41 -1.460 -9.904 1.551 1.00 0.00 C ATOM 689 O THR A 41 -1.887 -10.476 2.555 1.00 0.00 O ATOM 690 CB THR A 41 -0.400 -11.235 -0.298 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.607 -11.812 -1.595 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.007 -12.329 0.685 1.00 0.00 C ATOM 0 H THR A 41 -1.317 -9.128 -1.375 1.00 0.00 H new ATOM 0 HA THR A 41 -2.499 -11.221 0.224 1.00 0.00 H new ATOM 0 HB THR A 41 0.407 -10.504 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.209 -11.233 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.898 -12.825 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.177 -11.889 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.814 -13.058 0.760 1.00 0.00 H new ATOM 700 N TYR A 42 -0.825 -8.741 1.610 1.00 0.00 N ATOM 701 CA TYR A 42 -0.398 -8.192 2.890 1.00 0.00 C ATOM 702 C TYR A 42 -1.231 -6.993 3.340 1.00 0.00 C ATOM 703 O TYR A 42 -1.734 -6.969 4.460 1.00 0.00 O ATOM 704 CB TYR A 42 1.077 -7.793 2.823 1.00 0.00 C ATOM 705 CG TYR A 42 2.010 -8.941 2.508 1.00 0.00 C ATOM 706 CD1 TYR A 42 2.117 -10.028 3.365 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.788 -8.936 1.355 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.970 -11.076 3.083 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.643 -9.982 1.068 1.00 0.00 C ATOM 710 CZ TYR A 42 3.731 -11.048 1.934 1.00 0.00 C ATOM 711 OH TYR A 42 4.578 -12.093 1.649 1.00 0.00 O ATOM 0 H TYR A 42 -0.597 -8.166 0.799 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.546 -8.979 3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.200 -7.020 2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.368 -7.353 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.523 -10.054 4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.722 -8.101 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.041 -11.915 3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.240 -9.963 0.168 1.00 0.00 H new ATOM 0 HH TYR A 42 5.040 -11.918 0.803 1.00 0.00 H new ATOM 721 N LEU A 43 -1.389 -6.009 2.468 1.00 0.00 N ATOM 722 CA LEU A 43 -1.904 -4.710 2.889 1.00 0.00 C ATOM 723 C LEU A 43 -3.423 -4.587 2.701 1.00 0.00 C ATOM 724 O LEU A 43 -4.137 -4.151 3.605 1.00 0.00 O ATOM 725 CB LEU A 43 -1.190 -3.608 2.110 1.00 0.00 C ATOM 726 CG LEU A 43 -1.218 -2.232 2.769 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.374 -2.224 4.035 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.742 -1.165 1.800 1.00 0.00 C ATOM 0 H LEU A 43 -1.171 -6.081 1.474 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.709 -4.608 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.151 -3.903 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.643 -3.530 1.122 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.248 -2.007 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.408 -1.233 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.766 -2.959 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.657 -2.474 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.769 -0.191 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.279 -1.386 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.393 -1.151 0.926 1.00 0.00 H new ATOM 740 N PHE A 44 -3.907 -4.987 1.528 1.00 0.00 N ATOM 741 CA PHE A 44 -5.327 -4.856 1.172 1.00 0.00 C ATOM 742 C PHE A 44 -6.302 -5.546 2.148 1.00 0.00 C ATOM 743 O PHE A 44 -7.342 -4.969 2.459 1.00 0.00 O ATOM 744 CB PHE A 44 -5.585 -5.389 -0.241 1.00 0.00 C ATOM 745 CG PHE A 44 -5.137 -4.466 -1.338 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.729 -3.174 -1.056 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.133 -4.895 -2.654 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.323 -2.326 -2.066 1.00 0.00 C ATOM 749 CE2 PHE A 44 -4.727 -4.053 -3.669 1.00 0.00 C ATOM 750 CZ PHE A 44 -4.322 -2.766 -3.375 1.00 0.00 C ATOM 0 H PHE A 44 -3.334 -5.409 0.798 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.527 -3.786 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.075 -6.346 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.652 -5.581 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.728 -2.825 -0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.451 -5.900 -2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.007 -1.320 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.726 -4.400 -4.692 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.005 -2.104 -4.168 1.00 0.00 H new ATOM 760 N PRO A 45 -6.006 -6.770 2.649 1.00 0.00 N ATOM 761 CA PRO A 45 -6.974 -7.541 3.453 1.00 0.00 C ATOM 762 C PRO A 45 -7.405 -6.829 4.736 1.00 0.00 C ATOM 763 O PRO A 45 -8.436 -7.158 5.323 1.00 0.00 O ATOM 764 CB PRO A 45 -6.224 -8.837 3.789 1.00 0.00 C ATOM 765 CG PRO A 45 -4.784 -8.513 3.601 1.00 0.00 C ATOM 766 CD PRO A 45 -4.735 -7.494 2.500 1.00 0.00 C ATOM 0 HA PRO A 45 -7.901 -7.695 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.426 -9.155 4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.533 -9.652 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.349 -8.118 4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.214 -9.403 3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.878 -6.828 2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.653 -7.965 1.520 1.00 0.00 H new ATOM 774 N ASP A 46 -6.623 -5.847 5.156 1.00 0.00 N ATOM 775 CA ASP A 46 -6.897 -5.128 6.393 1.00 0.00 C ATOM 776 C ASP A 46 -7.628 -3.817 6.115 1.00 0.00 C ATOM 777 O ASP A 46 -8.762 -3.612 6.549 1.00 0.00 O ATOM 778 CB ASP A 46 -5.580 -4.849 7.127 1.00 0.00 C ATOM 779 CG ASP A 46 -5.782 -4.189 8.477 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.929 -2.953 8.528 1.00 0.00 O ATOM 781 OD2 ASP A 46 -5.774 -4.905 9.500 1.00 0.00 O ATOM 0 H ASP A 46 -5.792 -5.528 4.658 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.540 -5.747 7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.041 -5.787 7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.953 -4.209 6.506 1.00 0.00 H new ATOM 786 N ILE A 47 -6.975 -2.949 5.361 1.00 0.00 N ATOM 787 CA ILE A 47 -7.458 -1.590 5.133 1.00 0.00 C ATOM 788 C ILE A 47 -8.396 -1.495 3.934 1.00 0.00 C ATOM 789 O ILE A 47 -9.111 -0.504 3.774 1.00 0.00 O ATOM 790 CB ILE A 47 -6.271 -0.647 4.899 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.377 -1.230 3.801 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.503 -0.431 6.192 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.078 -0.495 3.599 1.00 0.00 C ATOM 0 H ILE A 47 -6.096 -3.162 4.889 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.016 -1.301 6.024 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.632 0.328 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.158 -2.270 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.930 -1.230 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.664 0.240 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.164 0.009 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.129 -1.388 6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.508 -0.975 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.284 0.539 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.500 -0.517 4.523 1.00 0.00 H new ATOM 805 N GLY A 48 -8.393 -2.522 3.097 1.00 0.00 N ATOM 806 CA GLY A 48 -9.166 -2.489 1.870 1.00 0.00 C ATOM 807 C GLY A 48 -10.656 -2.383 2.110 1.00 0.00 C ATOM 808 O GLY A 48 -11.392 -1.884 1.260 1.00 0.00 O ATOM 0 H GLY A 48 -7.866 -3.383 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.840 -1.643 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.960 -3.391 1.294 1.00 0.00 H new ATOM 812 N ASN A 49 -11.098 -2.846 3.268 1.00 0.00 N ATOM 813 CA ASN A 49 -12.515 -2.843 3.599 1.00 0.00 C ATOM 814 C ASN A 49 -12.809 -1.807 4.675 1.00 0.00 C ATOM 815 O ASN A 49 -13.859 -1.839 5.316 1.00 0.00 O ATOM 816 CB ASN A 49 -12.950 -4.235 4.069 1.00 0.00 C ATOM 817 CG ASN A 49 -12.696 -5.309 3.024 1.00 0.00 C ATOM 818 OD1 ASN A 49 -12.731 -5.045 1.820 1.00 0.00 O ATOM 819 ND2 ASN A 49 -12.431 -6.526 3.478 1.00 0.00 N ATOM 0 H ASN A 49 -10.495 -3.229 3.996 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.080 -2.581 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.415 -4.489 4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.012 -4.216 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.246 -7.286 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.412 -6.703 4.482 1.00 0.00 H new ATOM 826 N LYS A 50 -11.879 -0.880 4.861 1.00 0.00 N ATOM 827 CA LYS A 50 -12.041 0.176 5.846 1.00 0.00 C ATOM 828 C LYS A 50 -12.451 1.477 5.174 1.00 0.00 C ATOM 829 O LYS A 50 -12.380 1.604 3.952 1.00 0.00 O ATOM 830 CB LYS A 50 -10.752 0.362 6.652 1.00 0.00 C ATOM 831 CG LYS A 50 -10.511 -0.758 7.646 1.00 0.00 C ATOM 832 CD LYS A 50 -9.166 -0.626 8.336 1.00 0.00 C ATOM 833 CE LYS A 50 -9.000 -1.683 9.415 1.00 0.00 C ATOM 834 NZ LYS A 50 -7.641 -1.666 10.010 1.00 0.00 N ATOM 0 H LYS A 50 -11.003 -0.840 4.340 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.834 -0.115 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.906 0.421 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.797 1.311 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.304 -0.756 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.562 -1.717 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.366 -0.722 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.076 0.366 8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.740 -1.520 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.197 -2.667 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.683 -2.031 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.006 -2.264 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.279 -0.691 10.021 1.00 0.00 H new ATOM 848 N ASP A 51 -12.867 2.440 5.987 1.00 0.00 N ATOM 849 CA ASP A 51 -13.403 3.707 5.492 1.00 0.00 C ATOM 850 C ASP A 51 -12.311 4.599 4.912 1.00 0.00 C ATOM 851 O ASP A 51 -12.614 5.610 4.281 1.00 0.00 O ATOM 852 CB ASP A 51 -14.122 4.449 6.623 1.00 0.00 C ATOM 853 CG ASP A 51 -15.274 3.656 7.204 1.00 0.00 C ATOM 854 OD1 ASP A 51 -16.403 3.766 6.679 1.00 0.00 O ATOM 855 OD2 ASP A 51 -15.058 2.921 8.189 1.00 0.00 O ATOM 0 H ASP A 51 -12.844 2.368 7.004 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.107 3.474 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.408 4.676 7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.495 5.402 6.247 1.00 0.00 H new ATOM 860 N ILE A 52 -11.051 4.232 5.162 1.00 0.00 N ATOM 861 CA ILE A 52 -9.876 4.977 4.680 1.00 0.00 C ATOM 862 C ILE A 52 -9.705 6.318 5.418 1.00 0.00 C ATOM 863 O ILE A 52 -8.599 6.662 5.830 1.00 0.00 O ATOM 864 CB ILE A 52 -9.904 5.179 3.128 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.584 4.706 2.502 1.00 0.00 C ATOM 866 CG2 ILE A 52 -10.172 6.630 2.727 1.00 0.00 C ATOM 867 CD1 ILE A 52 -7.377 5.543 2.886 1.00 0.00 C ATOM 0 H ILE A 52 -10.812 3.404 5.708 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.003 4.366 4.909 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.730 4.577 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.404 3.673 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.687 4.713 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.180 6.711 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.138 6.944 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.389 7.270 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.487 5.141 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.531 6.573 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.245 5.516 3.968 1.00 0.00 H new ATOM 879 N ALA A 53 -10.799 7.048 5.614 1.00 0.00 N ATOM 880 CA ALA A 53 -10.757 8.346 6.278 1.00 0.00 C ATOM 881 C ALA A 53 -10.339 8.201 7.737 1.00 0.00 C ATOM 882 O ALA A 53 -9.680 9.076 8.296 1.00 0.00 O ATOM 883 CB ALA A 53 -12.111 9.034 6.182 1.00 0.00 C ATOM 0 H ALA A 53 -11.732 6.759 5.320 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.013 8.961 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.064 10.001 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.372 9.180 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.869 8.414 6.661 1.00 0.00 H new ATOM 889 N GLU A 54 -10.709 7.082 8.343 1.00 0.00 N ATOM 890 CA GLU A 54 -10.399 6.839 9.744 1.00 0.00 C ATOM 891 C GLU A 54 -9.253 5.846 9.892 1.00 0.00 C ATOM 892 O GLU A 54 -9.257 5.008 10.792 1.00 0.00 O ATOM 893 CB GLU A 54 -11.633 6.330 10.487 1.00 0.00 C ATOM 894 CG GLU A 54 -12.746 7.356 10.582 1.00 0.00 C ATOM 895 CD GLU A 54 -13.851 6.926 11.519 1.00 0.00 C ATOM 896 OE1 GLU A 54 -13.684 7.083 12.751 1.00 0.00 O ATOM 897 OE2 GLU A 54 -14.892 6.442 11.038 1.00 0.00 O ATOM 0 H GLU A 54 -11.224 6.329 7.887 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.088 7.787 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.011 5.441 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.343 6.026 11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.333 8.305 10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.162 7.529 9.590 1.00 0.00 H new ATOM 904 N LEU A 55 -8.272 5.941 9.009 1.00 0.00 N ATOM 905 CA LEU A 55 -7.086 5.109 9.119 1.00 0.00 C ATOM 906 C LEU A 55 -6.011 5.819 9.929 1.00 0.00 C ATOM 907 O LEU A 55 -5.370 6.761 9.457 1.00 0.00 O ATOM 908 CB LEU A 55 -6.562 4.716 7.735 1.00 0.00 C ATOM 909 CG LEU A 55 -7.256 3.505 7.107 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.732 3.254 5.702 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.049 2.276 7.980 1.00 0.00 C ATOM 0 H LEU A 55 -8.273 6.581 8.214 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.358 4.193 9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.672 5.568 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.495 4.506 7.812 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.324 3.713 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.238 2.389 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.922 4.130 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.660 3.063 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.546 1.419 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.983 2.070 8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.470 2.457 8.969 1.00 0.00 H new ATOM 923 N ASP A 56 -5.854 5.379 11.169 1.00 0.00 N ATOM 924 CA ASP A 56 -4.853 5.934 12.072 1.00 0.00 C ATOM 925 C ASP A 56 -3.458 5.512 11.635 1.00 0.00 C ATOM 926 O ASP A 56 -3.294 4.467 10.999 1.00 0.00 O ATOM 927 CB ASP A 56 -5.127 5.453 13.504 1.00 0.00 C ATOM 928 CG ASP A 56 -4.118 5.965 14.516 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.296 7.090 15.025 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.149 5.241 14.820 1.00 0.00 O ATOM 0 H ASP A 56 -6.414 4.630 11.577 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.911 7.022 12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.125 5.774 13.803 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.125 4.363 13.520 1.00 0.00 H new ATOM 935 N THR A 57 -2.460 6.326 11.966 1.00 0.00 N ATOM 936 CA THR A 57 -1.071 6.009 11.666 1.00 0.00 C ATOM 937 C THR A 57 -0.725 4.600 12.144 1.00 0.00 C ATOM 938 O THR A 57 -0.132 3.809 11.411 1.00 0.00 O ATOM 939 CB THR A 57 -0.114 7.021 12.331 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.458 8.358 11.940 1.00 0.00 O ATOM 941 CG2 THR A 57 1.333 6.738 11.954 1.00 0.00 C ATOM 0 H THR A 57 -2.591 7.216 12.446 1.00 0.00 H new ATOM 0 HA THR A 57 -0.949 6.065 10.584 1.00 0.00 H new ATOM 0 HB THR A 57 -0.217 6.919 13.411 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.154 8.992 12.369 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.984 7.467 12.437 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.605 5.735 12.282 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.448 6.810 10.872 1.00 0.00 H new ATOM 949 N GLY A 58 -1.147 4.278 13.359 1.00 0.00 N ATOM 950 CA GLY A 58 -0.848 2.986 13.933 1.00 0.00 C ATOM 951 C GLY A 58 -1.694 1.879 13.338 1.00 0.00 C ATOM 952 O GLY A 58 -1.269 0.729 13.289 1.00 0.00 O ATOM 0 H GLY A 58 -1.695 4.895 13.959 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.206 2.757 13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.010 3.024 15.010 1.00 0.00 H new ATOM 956 N ASP A 59 -2.881 2.230 12.853 1.00 0.00 N ATOM 957 CA ASP A 59 -3.804 1.242 12.301 1.00 0.00 C ATOM 958 C ASP A 59 -3.293 0.737 10.955 1.00 0.00 C ATOM 959 O ASP A 59 -3.586 -0.384 10.548 1.00 0.00 O ATOM 960 CB ASP A 59 -5.206 1.840 12.154 1.00 0.00 C ATOM 961 CG ASP A 59 -6.265 0.785 11.900 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.650 0.083 12.864 1.00 0.00 O ATOM 963 OD2 ASP A 59 -6.726 0.655 10.752 1.00 0.00 O ATOM 0 H ASP A 59 -3.227 3.189 12.831 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.863 0.398 12.989 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.458 2.392 13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.207 2.556 11.332 1.00 0.00 H new ATOM 968 N LEU A 60 -2.515 1.578 10.282 1.00 0.00 N ATOM 969 CA LEU A 60 -1.837 1.198 9.044 1.00 0.00 C ATOM 970 C LEU A 60 -0.520 0.489 9.359 1.00 0.00 C ATOM 971 O LEU A 60 -0.052 -0.383 8.607 1.00 0.00 O ATOM 972 CB LEU A 60 -1.573 2.444 8.199 1.00 0.00 C ATOM 973 CG LEU A 60 -2.817 3.079 7.581 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.593 4.560 7.329 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.166 2.375 6.282 1.00 0.00 C ATOM 0 H LEU A 60 -2.336 2.538 10.576 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.475 0.514 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.074 3.188 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.881 2.182 7.399 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.646 2.971 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.491 4.994 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.373 5.060 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.754 4.690 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.054 2.833 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.333 2.464 5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.362 1.321 6.480 1.00 0.00 H new ATOM 987 N LEU A 61 0.068 0.858 10.486 1.00 0.00 N ATOM 988 CA LEU A 61 1.307 0.247 10.930 1.00 0.00 C ATOM 989 C LEU A 61 1.096 -1.215 11.288 1.00 0.00 C ATOM 990 O LEU A 61 2.025 -2.002 11.214 1.00 0.00 O ATOM 991 CB LEU A 61 1.896 0.998 12.125 1.00 0.00 C ATOM 992 CG LEU A 61 2.464 2.381 11.805 1.00 0.00 C ATOM 993 CD1 LEU A 61 3.086 3.002 13.047 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.482 2.291 10.680 1.00 0.00 C ATOM 0 H LEU A 61 -0.295 1.579 11.110 1.00 0.00 H new ATOM 0 HA LEU A 61 2.014 0.305 10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.121 1.107 12.884 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.687 0.390 12.563 1.00 0.00 H new ATOM 0 HG LEU A 61 1.647 3.023 11.475 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.485 3.986 12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.327 3.102 13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.892 2.363 13.408 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.876 3.284 10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.298 1.634 10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.003 1.890 9.787 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.126 -1.578 11.667 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.428 -2.964 12.020 1.00 0.00 C ATOM 1008 C VAL A 62 -0.275 -3.905 10.812 1.00 0.00 C ATOM 1009 O VAL A 62 0.396 -4.921 10.927 1.00 0.00 O ATOM 1010 CB VAL A 62 -1.829 -3.126 12.649 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.071 -4.577 13.040 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -1.973 -2.222 13.861 1.00 0.00 C ATOM 0 H VAL A 62 -0.918 -0.939 11.738 1.00 0.00 H new ATOM 0 HA VAL A 62 0.305 -3.247 12.775 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.575 -2.837 11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.063 -4.674 13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.005 -5.208 12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.319 -4.889 13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.966 -2.348 14.293 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.219 -2.485 14.603 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.838 -1.184 13.558 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.901 -3.611 9.648 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.628 -4.354 8.408 1.00 0.00 C ATOM 1024 C PRO A 63 0.867 -4.444 8.110 1.00 0.00 C ATOM 1025 O PRO A 63 1.395 -5.527 7.827 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.331 -3.529 7.335 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.440 -2.842 8.048 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.948 -2.593 9.449 1.00 0.00 C ATOM 0 HA PRO A 63 -0.975 -5.385 8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.650 -2.811 6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.709 -4.163 6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.699 -1.905 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.339 -3.458 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.549 -1.584 9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.751 -2.699 10.178 1.00 0.00 H new ATOM 1036 N ILE A 64 1.555 -3.305 8.188 1.00 0.00 N ATOM 1037 CA ILE A 64 3.005 -3.284 7.996 1.00 0.00 C ATOM 1038 C ILE A 64 3.693 -4.188 9.022 1.00 0.00 C ATOM 1039 O ILE A 64 4.607 -4.949 8.699 1.00 0.00 O ATOM 1040 CB ILE A 64 3.567 -1.850 8.123 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.928 -0.936 7.072 1.00 0.00 C ATOM 1042 CG2 ILE A 64 5.085 -1.853 7.982 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.328 0.519 7.205 1.00 0.00 C ATOM 0 H ILE A 64 1.138 -2.394 8.381 1.00 0.00 H new ATOM 0 HA ILE A 64 3.208 -3.652 6.990 1.00 0.00 H new ATOM 0 HB ILE A 64 3.320 -1.466 9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.205 -1.290 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.843 -1.014 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.461 -0.834 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.522 -2.473 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.359 -2.254 7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.837 1.104 6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.027 0.891 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.409 0.610 7.099 1.00 0.00 H new ATOM 1055 N LYS A 65 3.215 -4.112 10.253 1.00 0.00 N ATOM 1056 CA LYS A 65 3.763 -4.870 11.365 1.00 0.00 C ATOM 1057 C LYS A 65 3.399 -6.348 11.257 1.00 0.00 C ATOM 1058 O LYS A 65 4.062 -7.202 11.835 1.00 0.00 O ATOM 1059 CB LYS A 65 3.237 -4.288 12.674 1.00 0.00 C ATOM 1060 CG LYS A 65 3.895 -4.844 13.915 1.00 0.00 C ATOM 1061 CD LYS A 65 3.365 -4.159 15.156 1.00 0.00 C ATOM 1062 CE LYS A 65 4.088 -4.634 16.398 1.00 0.00 C ATOM 1063 NZ LYS A 65 5.540 -4.305 16.354 1.00 0.00 N ATOM 0 H LYS A 65 2.428 -3.517 10.511 1.00 0.00 H new ATOM 0 HA LYS A 65 4.850 -4.796 11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.375 -3.207 12.658 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.164 -4.471 12.734 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.712 -5.917 13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.975 -4.708 13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.481 -3.080 15.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.298 -4.357 15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.638 -4.175 17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.963 -5.712 16.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.930 -4.327 17.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.036 -5.002 15.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.669 -3.355 15.950 1.00 0.00 H new ATOM 1077 N LYS A 66 2.338 -6.643 10.525 1.00 0.00 N ATOM 1078 CA LYS A 66 1.954 -8.018 10.253 1.00 0.00 C ATOM 1079 C LYS A 66 3.028 -8.675 9.399 1.00 0.00 C ATOM 1080 O LYS A 66 3.382 -9.835 9.601 1.00 0.00 O ATOM 1081 CB LYS A 66 0.600 -8.064 9.543 1.00 0.00 C ATOM 1082 CG LYS A 66 0.057 -9.469 9.334 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.273 -9.444 8.597 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.882 -10.833 8.499 1.00 0.00 C ATOM 1085 NZ LYS A 66 -3.198 -10.815 7.807 1.00 0.00 N ATOM 0 H LYS A 66 1.724 -5.944 10.106 1.00 0.00 H new ATOM 0 HA LYS A 66 1.859 -8.561 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.122 -7.489 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.693 -7.574 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.778 -10.059 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.069 -9.960 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.964 -8.778 9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.128 -9.038 7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.199 -11.492 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.004 -11.247 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.579 -11.781 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.858 -10.207 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.078 -10.444 6.843 1.00 0.00 H new ATOM 1099 N ILE A 67 3.554 -7.907 8.453 1.00 0.00 N ATOM 1100 CA ILE A 67 4.671 -8.361 7.634 1.00 0.00 C ATOM 1101 C ILE A 67 5.951 -8.390 8.470 1.00 0.00 C ATOM 1102 O ILE A 67 6.803 -9.266 8.301 1.00 0.00 O ATOM 1103 CB ILE A 67 4.870 -7.451 6.409 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.533 -7.233 5.700 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.881 -8.071 5.457 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.572 -6.134 4.658 1.00 0.00 C ATOM 0 H ILE A 67 3.225 -6.967 8.234 1.00 0.00 H new ATOM 0 HA ILE A 67 4.444 -9.366 7.279 1.00 0.00 H new ATOM 0 HB ILE A 67 5.252 -6.485 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.228 -8.164 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.772 -6.992 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.015 -7.419 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.835 -8.195 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.519 -9.044 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.590 -6.035 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.846 -5.192 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.309 -6.383 3.894 1.00 0.00 H new ATOM 1118 N GLU A 68 6.071 -7.425 9.374 1.00 0.00 N ATOM 1119 CA GLU A 68 7.154 -7.399 10.351 1.00 0.00 C ATOM 1120 C GLU A 68 7.159 -8.699 11.154 1.00 0.00 C ATOM 1121 O GLU A 68 8.186 -9.365 11.286 1.00 0.00 O ATOM 1122 CB GLU A 68 6.966 -6.209 11.298 1.00 0.00 C ATOM 1123 CG GLU A 68 7.995 -6.133 12.412 1.00 0.00 C ATOM 1124 CD GLU A 68 7.540 -5.262 13.568 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.740 -4.036 13.507 1.00 0.00 O ATOM 1126 OE2 GLU A 68 6.978 -5.807 14.548 1.00 0.00 O ATOM 0 H GLU A 68 5.423 -6.641 9.451 1.00 0.00 H new ATOM 0 HA GLU A 68 8.105 -7.297 9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.006 -5.287 10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.971 -6.264 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.203 -7.138 12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.930 -5.740 12.012 1.00 0.00 H new ATOM 1133 N LYS A 69 5.984 -9.047 11.662 1.00 0.00 N ATOM 1134 CA LYS A 69 5.783 -10.254 12.453 1.00 0.00 C ATOM 1135 C LYS A 69 5.949 -11.501 11.582 1.00 0.00 C ATOM 1136 O LYS A 69 6.164 -12.604 12.087 1.00 0.00 O ATOM 1137 CB LYS A 69 4.381 -10.208 13.078 1.00 0.00 C ATOM 1138 CG LYS A 69 4.110 -11.284 14.117 1.00 0.00 C ATOM 1139 CD LYS A 69 2.710 -11.140 14.695 1.00 0.00 C ATOM 1140 CE LYS A 69 2.416 -12.201 15.741 1.00 0.00 C ATOM 1141 NZ LYS A 69 1.042 -12.060 16.290 1.00 0.00 N ATOM 0 H LYS A 69 5.136 -8.494 11.535 1.00 0.00 H new ATOM 0 HA LYS A 69 6.531 -10.303 13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.237 -9.232 13.541 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.641 -10.296 12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.221 -12.269 13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.847 -11.216 14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.601 -10.151 15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.977 -11.210 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.532 -13.191 15.299 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.142 -12.126 16.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.875 -12.800 17.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.939 -11.125 16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.349 -12.156 15.520 1.00 0.00 H new ATOM 1155 N LEU A 70 5.849 -11.314 10.271 1.00 0.00 N ATOM 1156 CA LEU A 70 6.040 -12.400 9.317 1.00 0.00 C ATOM 1157 C LEU A 70 7.528 -12.722 9.190 1.00 0.00 C ATOM 1158 O LEU A 70 7.913 -13.858 8.904 1.00 0.00 O ATOM 1159 CB LEU A 70 5.468 -12.003 7.951 1.00 0.00 C ATOM 1160 CG LEU A 70 5.377 -13.128 6.917 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.271 -14.099 7.289 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.137 -12.553 5.529 1.00 0.00 C ATOM 0 H LEU A 70 5.635 -10.414 9.842 1.00 0.00 H new ATOM 0 HA LEU A 70 5.515 -13.286 9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.470 -11.591 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.084 -11.204 7.538 1.00 0.00 H new ATOM 0 HG LEU A 70 6.323 -13.669 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.219 -14.893 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.481 -14.532 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.319 -13.570 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.075 -13.365 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.203 -11.990 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.961 -11.891 5.262 1.00 0.00 H new ATOM 1174 N GLY A 71 8.358 -11.710 9.412 1.00 0.00 N ATOM 1175 CA GLY A 71 9.796 -11.892 9.355 1.00 0.00 C ATOM 1176 C GLY A 71 10.438 -11.101 8.234 1.00 0.00 C ATOM 1177 O GLY A 71 11.658 -10.932 8.205 1.00 0.00 O ATOM 0 H GLY A 71 8.058 -10.760 9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.235 -11.590 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.020 -12.951 9.223 1.00 0.00 H new ATOM 1181 N TYR A 72 9.620 -10.598 7.322 1.00 0.00 N ATOM 1182 CA TYR A 72 10.124 -9.879 6.160 1.00 0.00 C ATOM 1183 C TYR A 72 10.055 -8.373 6.370 1.00 0.00 C ATOM 1184 O TYR A 72 9.015 -7.753 6.152 1.00 0.00 O ATOM 1185 CB TYR A 72 9.330 -10.258 4.908 1.00 0.00 C ATOM 1186 CG TYR A 72 9.507 -11.696 4.474 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.523 -12.052 3.597 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.656 -12.695 4.931 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.686 -13.361 3.187 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.811 -14.007 4.525 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.829 -14.335 3.654 1.00 0.00 C ATOM 1192 OH TYR A 72 9.985 -15.640 3.243 1.00 0.00 O ATOM 0 H TYR A 72 8.604 -10.674 7.363 1.00 0.00 H new ATOM 0 HA TYR A 72 11.168 -10.163 6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.272 -10.074 5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.629 -9.604 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.197 -11.293 3.229 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.860 -12.442 5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.481 -13.620 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.139 -14.771 4.888 1.00 0.00 H new ATOM 0 HH TYR A 72 9.301 -16.200 3.665 1.00 0.00 H new ATOM 1202 N LEU A 73 11.167 -7.785 6.786 1.00 0.00 N ATOM 1203 CA LEU A 73 11.216 -6.350 7.029 1.00 0.00 C ATOM 1204 C LEU A 73 11.252 -5.580 5.715 1.00 0.00 C ATOM 1205 O LEU A 73 10.629 -4.525 5.588 1.00 0.00 O ATOM 1206 CB LEU A 73 12.424 -5.984 7.894 1.00 0.00 C ATOM 1207 CG LEU A 73 12.380 -6.531 9.321 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.601 -6.077 10.105 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.099 -6.089 10.013 1.00 0.00 C ATOM 0 H LEU A 73 12.044 -8.276 6.962 1.00 0.00 H new ATOM 0 HA LEU A 73 10.311 -6.070 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.327 -6.352 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.506 -4.898 7.939 1.00 0.00 H new ATOM 0 HG LEU A 73 12.392 -7.620 9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.552 -6.476 11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.504 -6.441 9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.624 -4.988 10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.079 -6.485 11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.061 -5.000 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.238 -6.465 9.460 1.00 0.00 H new ATOM 1221 N GLU A 74 11.978 -6.112 4.736 1.00 0.00 N ATOM 1222 CA GLU A 74 12.043 -5.491 3.420 1.00 0.00 C ATOM 1223 C GLU A 74 10.672 -5.400 2.778 1.00 0.00 C ATOM 1224 O GLU A 74 10.289 -4.341 2.292 1.00 0.00 O ATOM 1225 CB GLU A 74 12.993 -6.240 2.494 1.00 0.00 C ATOM 1226 CG GLU A 74 14.450 -5.890 2.707 1.00 0.00 C ATOM 1227 CD GLU A 74 15.296 -6.263 1.517 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.182 -5.591 0.473 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.075 -7.229 1.614 1.00 0.00 O ATOM 0 H GLU A 74 12.526 -6.967 4.829 1.00 0.00 H new ATOM 0 HA GLU A 74 12.425 -4.481 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.860 -7.312 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.724 -6.025 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.543 -4.821 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.822 -6.405 3.593 1.00 0.00 H new ATOM 1236 N ILE A 75 9.932 -6.504 2.768 1.00 0.00 N ATOM 1237 CA ILE A 75 8.597 -6.509 2.180 1.00 0.00 C ATOM 1238 C ILE A 75 7.708 -5.494 2.893 1.00 0.00 C ATOM 1239 O ILE A 75 6.982 -4.744 2.248 1.00 0.00 O ATOM 1240 CB ILE A 75 7.934 -7.916 2.201 1.00 0.00 C ATOM 1241 CG1 ILE A 75 8.540 -8.832 1.126 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.429 -7.811 1.992 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.971 -9.244 1.385 1.00 0.00 C ATOM 0 H ILE A 75 10.230 -7.399 3.156 1.00 0.00 H new ATOM 0 HA ILE A 75 8.708 -6.229 1.132 1.00 0.00 H new ATOM 0 HB ILE A 75 8.127 -8.351 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.927 -9.729 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.491 -8.323 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.989 -8.808 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.993 -7.206 2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.227 -7.343 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.316 -9.889 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.602 -8.356 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.029 -9.785 2.330 1.00 0.00 H new ATOM 1255 N ALA A 76 7.809 -5.446 4.220 1.00 0.00 N ATOM 1256 CA ALA A 76 7.063 -4.472 5.011 1.00 0.00 C ATOM 1257 C ALA A 76 7.368 -3.049 4.548 1.00 0.00 C ATOM 1258 O ALA A 76 6.457 -2.274 4.258 1.00 0.00 O ATOM 1259 CB ALA A 76 7.386 -4.632 6.491 1.00 0.00 C ATOM 0 H ALA A 76 8.400 -6.070 4.769 1.00 0.00 H new ATOM 0 HA ALA A 76 5.999 -4.656 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.822 -3.899 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.114 -5.636 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.453 -4.476 6.650 1.00 0.00 H new ATOM 1265 N MET A 77 8.653 -2.720 4.464 1.00 0.00 N ATOM 1266 CA MET A 77 9.081 -1.398 4.002 1.00 0.00 C ATOM 1267 C MET A 77 8.641 -1.137 2.561 1.00 0.00 C ATOM 1268 O MET A 77 8.185 -0.042 2.237 1.00 0.00 O ATOM 1269 CB MET A 77 10.601 -1.247 4.104 1.00 0.00 C ATOM 1270 CG MET A 77 11.121 -1.168 5.529 1.00 0.00 C ATOM 1271 SD MET A 77 12.906 -0.920 5.605 1.00 0.00 S ATOM 1272 CE MET A 77 13.497 -2.427 4.832 1.00 0.00 C ATOM 0 H MET A 77 9.418 -3.348 4.709 1.00 0.00 H new ATOM 0 HA MET A 77 8.603 -0.664 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.074 -2.091 3.602 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.903 -0.347 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.622 -0.350 6.049 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.863 -2.086 6.057 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.564 -2.540 5.024 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.961 -3.282 5.244 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.326 -2.376 3.757 1.00 0.00 H new ATOM 1282 N ARG A 78 8.770 -2.144 1.698 1.00 0.00 N ATOM 1283 CA ARG A 78 8.447 -1.985 0.279 1.00 0.00 C ATOM 1284 C ARG A 78 6.945 -1.820 0.064 1.00 0.00 C ATOM 1285 O ARG A 78 6.517 -1.038 -0.784 1.00 0.00 O ATOM 1286 CB ARG A 78 8.975 -3.163 -0.546 1.00 0.00 C ATOM 1287 CG ARG A 78 10.492 -3.283 -0.528 1.00 0.00 C ATOM 1288 CD ARG A 78 10.982 -4.398 -1.439 1.00 0.00 C ATOM 1289 NE ARG A 78 12.413 -4.656 -1.274 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.292 -4.672 -2.277 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.906 -4.385 -3.516 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.563 -4.964 -2.034 1.00 0.00 N ATOM 0 H ARG A 78 9.095 -3.076 1.955 1.00 0.00 H new ATOM 0 HA ARG A 78 8.942 -1.076 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.540 -4.087 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.639 -3.054 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.935 -2.337 -0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.829 -3.472 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.423 -5.310 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.779 -4.133 -2.477 1.00 0.00 H new ATOM 0 HE ARG A 78 12.760 -4.835 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.932 -4.150 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.584 -4.399 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.865 -5.175 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.238 -4.977 -2.798 1.00 0.00 H new ATOM 1306 N VAL A 79 6.146 -2.553 0.831 1.00 0.00 N ATOM 1307 CA VAL A 79 4.700 -2.389 0.781 1.00 0.00 C ATOM 1308 C VAL A 79 4.326 -1.018 1.331 1.00 0.00 C ATOM 1309 O VAL A 79 3.401 -0.362 0.846 1.00 0.00 O ATOM 1310 CB VAL A 79 3.967 -3.501 1.570 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.476 -3.217 1.668 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.195 -4.853 0.913 1.00 0.00 C ATOM 0 H VAL A 79 6.472 -3.261 1.489 1.00 0.00 H new ATOM 0 HA VAL A 79 4.385 -2.468 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 79 4.378 -3.519 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.989 -4.016 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.319 -2.268 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.049 -3.164 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.674 -5.625 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.813 -4.831 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.262 -5.074 0.896 1.00 0.00 H new ATOM 1322 N LYS A 80 5.079 -0.580 2.333 1.00 0.00 N ATOM 1323 CA LYS A 80 4.914 0.752 2.892 1.00 0.00 C ATOM 1324 C LYS A 80 5.236 1.818 1.844 1.00 0.00 C ATOM 1325 O LYS A 80 4.616 2.880 1.830 1.00 0.00 O ATOM 1326 CB LYS A 80 5.803 0.923 4.126 1.00 0.00 C ATOM 1327 CG LYS A 80 5.788 2.325 4.717 1.00 0.00 C ATOM 1328 CD LYS A 80 6.608 2.390 5.993 1.00 0.00 C ATOM 1329 CE LYS A 80 6.816 3.823 6.451 1.00 0.00 C ATOM 1330 NZ LYS A 80 7.580 4.619 5.451 1.00 0.00 N ATOM 0 H LYS A 80 5.813 -1.133 2.776 1.00 0.00 H new ATOM 0 HA LYS A 80 3.874 0.875 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.483 0.215 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.828 0.664 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.185 3.034 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.761 2.624 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.105 1.826 6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.576 1.916 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.848 4.293 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.349 3.827 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.218 5.276 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.139 3.979 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.918 5.159 4.858 1.00 0.00 H new ATOM 1344 N GLN A 81 6.198 1.531 0.967 1.00 0.00 N ATOM 1345 CA GLN A 81 6.526 2.443 -0.129 1.00 0.00 C ATOM 1346 C GLN A 81 5.298 2.651 -1.008 1.00 0.00 C ATOM 1347 O GLN A 81 4.919 3.783 -1.312 1.00 0.00 O ATOM 1348 CB GLN A 81 7.674 1.904 -0.993 1.00 0.00 C ATOM 1349 CG GLN A 81 8.961 1.600 -0.239 1.00 0.00 C ATOM 1350 CD GLN A 81 9.476 2.775 0.569 1.00 0.00 C ATOM 1351 OE1 GLN A 81 10.211 3.622 0.063 1.00 0.00 O ATOM 1352 NE2 GLN A 81 9.129 2.806 1.844 1.00 0.00 N ATOM 0 H GLN A 81 6.760 0.680 0.993 1.00 0.00 H new ATOM 0 HA GLN A 81 6.844 3.388 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.338 0.994 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.892 2.631 -1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.791 0.755 0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.727 1.294 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.517 2.084 2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.473 3.552 2.448 1.00 0.00 H new ATOM 1361 N TYR A 82 4.677 1.540 -1.403 1.00 0.00 N ATOM 1362 CA TYR A 82 3.456 1.584 -2.198 1.00 0.00 C ATOM 1363 C TYR A 82 2.382 2.362 -1.453 1.00 0.00 C ATOM 1364 O TYR A 82 1.782 3.289 -1.997 1.00 0.00 O ATOM 1365 CB TYR A 82 2.929 0.174 -2.485 1.00 0.00 C ATOM 1366 CG TYR A 82 3.955 -0.805 -3.021 1.00 0.00 C ATOM 1367 CD1 TYR A 82 4.992 -0.392 -3.851 1.00 0.00 C ATOM 1368 CD2 TYR A 82 3.873 -2.152 -2.694 1.00 0.00 C ATOM 1369 CE1 TYR A 82 5.919 -1.298 -4.335 1.00 0.00 C ATOM 1370 CE2 TYR A 82 4.792 -3.061 -3.175 1.00 0.00 C ATOM 1371 CZ TYR A 82 5.812 -2.631 -3.995 1.00 0.00 C ATOM 1372 OH TYR A 82 6.726 -3.540 -4.478 1.00 0.00 O ATOM 0 H TYR A 82 5.002 0.598 -1.184 1.00 0.00 H new ATOM 0 HA TYR A 82 3.693 2.073 -3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.509 -0.233 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.112 0.248 -3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.075 0.650 -4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.075 -2.494 -2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.722 -0.964 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.712 -4.105 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 82 7.159 -3.175 -5.278 1.00 0.00 H new ATOM 1382 N ALA A 83 2.166 1.978 -0.197 1.00 0.00 N ATOM 1383 CA ALA A 83 1.149 2.593 0.648 1.00 0.00 C ATOM 1384 C ALA A 83 1.331 4.102 0.733 1.00 0.00 C ATOM 1385 O ALA A 83 0.367 4.851 0.607 1.00 0.00 O ATOM 1386 CB ALA A 83 1.182 1.985 2.042 1.00 0.00 C ATOM 0 H ALA A 83 2.691 1.233 0.262 1.00 0.00 H new ATOM 0 HA ALA A 83 0.178 2.396 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.418 2.454 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.990 0.914 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.163 2.151 2.488 1.00 0.00 H new ATOM 1392 N THR A 84 2.569 4.539 0.936 1.00 0.00 N ATOM 1393 CA THR A 84 2.879 5.960 1.037 1.00 0.00 C ATOM 1394 C THR A 84 2.446 6.702 -0.230 1.00 0.00 C ATOM 1395 O THR A 84 1.862 7.790 -0.162 1.00 0.00 O ATOM 1396 CB THR A 84 4.388 6.181 1.282 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.814 5.434 2.433 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.701 7.654 1.491 1.00 0.00 C ATOM 0 H THR A 84 3.378 3.926 1.034 1.00 0.00 H new ATOM 0 HA THR A 84 2.325 6.359 1.887 1.00 0.00 H new ATOM 0 HB THR A 84 4.925 5.835 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.950 4.496 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.770 7.778 1.661 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.406 8.218 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.151 8.024 2.356 1.00 0.00 H new ATOM 1406 N ALA A 85 2.702 6.098 -1.381 1.00 0.00 N ATOM 1407 CA ALA A 85 2.323 6.694 -2.653 1.00 0.00 C ATOM 1408 C ALA A 85 0.806 6.707 -2.815 1.00 0.00 C ATOM 1409 O ALA A 85 0.241 7.656 -3.362 1.00 0.00 O ATOM 1410 CB ALA A 85 2.977 5.944 -3.803 1.00 0.00 C ATOM 0 H ALA A 85 3.171 5.195 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 85 2.674 7.726 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.685 6.401 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.061 5.990 -3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.655 4.903 -3.788 1.00 0.00 H new ATOM 1416 N ILE A 86 0.152 5.654 -2.332 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.305 5.567 -2.376 1.00 0.00 C ATOM 1418 C ILE A 86 -1.929 6.617 -1.460 1.00 0.00 C ATOM 1419 O ILE A 86 -2.925 7.249 -1.805 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.812 4.168 -1.956 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.170 3.082 -2.820 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.333 4.102 -2.056 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.522 1.673 -2.389 1.00 0.00 C ATOM 0 H ILE A 86 0.609 4.848 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.604 5.747 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.526 3.994 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.480 3.224 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.087 3.201 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.675 3.111 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.774 4.851 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.639 4.296 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.030 0.957 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.187 1.512 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.602 1.535 -2.444 1.00 0.00 H new ATOM 1435 N MET A 87 -1.322 6.805 -0.294 1.00 0.00 N ATOM 1436 CA MET A 87 -1.807 7.772 0.683 1.00 0.00 C ATOM 1437 C MET A 87 -1.820 9.178 0.100 1.00 0.00 C ATOM 1438 O MET A 87 -2.750 9.941 0.337 1.00 0.00 O ATOM 1439 CB MET A 87 -0.948 7.738 1.947 1.00 0.00 C ATOM 1440 CG MET A 87 -1.043 6.435 2.716 1.00 0.00 C ATOM 1441 SD MET A 87 0.068 6.388 4.134 1.00 0.00 S ATOM 1442 CE MET A 87 -0.153 4.692 4.662 1.00 0.00 C ATOM 0 H MET A 87 -0.488 6.297 -0.001 1.00 0.00 H new ATOM 0 HA MET A 87 -2.829 7.497 0.944 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.092 7.912 1.673 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.247 8.558 2.601 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.068 6.292 3.057 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.810 5.605 2.049 1.00 0.00 H new ATOM 0 HE1 MET A 87 -0.005 4.624 5.740 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.161 4.362 4.412 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.573 4.056 4.156 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.798 9.514 -0.680 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.739 10.831 -1.302 1.00 0.00 C ATOM 1454 C ARG A 88 -1.808 10.956 -2.381 1.00 0.00 C ATOM 1455 O ARG A 88 -2.387 12.023 -2.574 1.00 0.00 O ATOM 1456 CB ARG A 88 0.646 11.112 -1.885 1.00 0.00 C ATOM 1457 CG ARG A 88 0.747 12.477 -2.547 1.00 0.00 C ATOM 1458 CD ARG A 88 2.184 12.842 -2.867 1.00 0.00 C ATOM 1459 NE ARG A 88 2.269 14.082 -3.633 1.00 0.00 N ATOM 1460 CZ ARG A 88 2.753 15.231 -3.159 1.00 0.00 C ATOM 1461 NH1 ARG A 88 3.178 15.315 -1.901 1.00 0.00 N ATOM 1462 NH2 ARG A 88 2.813 16.293 -3.947 1.00 0.00 N ATOM 0 H ARG A 88 -0.010 8.903 -0.894 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.930 11.575 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.389 11.044 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.890 10.341 -2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.158 12.481 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.318 13.233 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.748 12.948 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.648 12.033 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 88 1.935 14.069 -4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.135 14.498 -1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.547 16.197 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.490 16.231 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.182 17.174 -3.589 1.00 0.00 H new ATOM 1476 N TYR A 89 -2.074 9.855 -3.074 1.00 0.00 N ATOM 1477 CA TYR A 89 -3.144 9.817 -4.062 1.00 0.00 C ATOM 1478 C TYR A 89 -4.489 9.971 -3.355 1.00 0.00 C ATOM 1479 O TYR A 89 -5.412 10.599 -3.871 1.00 0.00 O ATOM 1480 CB TYR A 89 -3.085 8.505 -4.855 1.00 0.00 C ATOM 1481 CG TYR A 89 -4.074 8.419 -5.999 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.939 9.225 -7.123 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.138 7.528 -5.956 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.838 9.146 -8.169 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.040 7.442 -6.998 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.887 8.253 -8.102 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.789 8.173 -9.137 1.00 0.00 O ATOM 0 H TYR A 89 -1.564 8.978 -2.970 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.022 10.639 -4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.078 8.380 -5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.264 7.674 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.118 9.924 -7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.262 6.891 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.720 9.780 -9.035 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.861 6.743 -6.948 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.465 7.494 -8.930 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.570 9.413 -2.151 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.744 9.560 -1.303 1.00 0.00 C ATOM 1499 C ALA A 90 -5.927 11.015 -0.887 1.00 0.00 C ATOM 1500 O ALA A 90 -7.040 11.536 -0.904 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.624 8.666 -0.079 1.00 0.00 C ATOM 0 H ALA A 90 -3.827 8.849 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.623 9.255 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.508 8.785 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.541 7.626 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.737 8.945 0.490 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.829 11.666 -0.509 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.854 13.087 -0.168 1.00 0.00 C ATOM 1509 C VAL A 91 -5.242 13.917 -1.390 1.00 0.00 C ATOM 1510 O VAL A 91 -5.978 14.898 -1.283 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.486 13.578 0.363 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.518 15.072 0.659 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -3.087 12.805 1.610 1.00 0.00 C ATOM 0 H VAL A 91 -3.909 11.231 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.594 13.215 0.622 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.743 13.399 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.544 15.390 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.754 15.619 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.279 15.277 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.122 13.165 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.839 12.951 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.013 11.744 1.372 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.760 13.496 -2.552 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.055 14.180 -3.803 1.00 0.00 C ATOM 1525 C GLN A 92 -6.551 14.114 -4.112 1.00 0.00 C ATOM 1526 O GLN A 92 -7.125 15.059 -4.651 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.238 13.566 -4.940 1.00 0.00 C ATOM 1528 CG GLN A 92 -4.321 14.348 -6.237 1.00 0.00 C ATOM 1529 CD GLN A 92 -3.460 13.758 -7.332 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -2.291 14.113 -7.477 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -4.029 12.858 -8.115 1.00 0.00 N ATOM 0 H GLN A 92 -4.159 12.678 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.778 15.230 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.195 13.499 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.584 12.548 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -5.358 14.378 -6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.015 15.378 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.001 12.590 -7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.496 12.431 -8.872 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.182 13.001 -3.750 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.626 12.858 -3.906 1.00 0.00 C ATOM 1542 C GLN A 93 -9.355 13.369 -2.665 1.00 0.00 C ATOM 1543 O GLN A 93 -10.575 13.257 -2.560 1.00 0.00 O ATOM 1544 CB GLN A 93 -9.000 11.399 -4.170 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.428 10.855 -5.467 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.961 9.480 -5.807 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -9.280 8.687 -4.925 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -9.078 9.198 -7.094 1.00 0.00 N ATOM 0 H GLN A 93 -6.718 12.187 -3.348 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.933 13.457 -4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.648 10.786 -3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.086 11.309 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.662 11.543 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.342 10.811 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.801 9.886 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.445 8.292 -7.386 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.580 13.913 -1.729 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.105 14.539 -0.514 1.00 0.00 C ATOM 1559 C LYS A 94 -9.808 13.517 0.383 1.00 0.00 C ATOM 1560 O LYS A 94 -10.713 13.854 1.148 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.054 15.687 -0.876 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.144 16.751 0.202 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.959 17.951 -0.249 1.00 0.00 C ATOM 1564 CE LYS A 94 -10.935 19.058 0.793 1.00 0.00 C ATOM 1565 NZ LYS A 94 -11.485 18.601 2.096 1.00 0.00 N ATOM 0 H LYS A 94 -7.562 13.933 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.263 14.944 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.718 16.148 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.049 15.282 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.595 16.323 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.140 17.076 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.564 18.328 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.989 17.645 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.911 19.404 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.513 19.909 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.610 19.419 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.404 18.139 1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.826 17.925 2.533 1.00 0.00 H new ATOM 1579 N MET A 95 -9.368 12.268 0.308 1.00 0.00 N ATOM 1580 CA MET A 95 -9.958 11.206 1.114 1.00 0.00 C ATOM 1581 C MET A 95 -9.413 11.269 2.533 1.00 0.00 C ATOM 1582 O MET A 95 -10.130 11.019 3.499 1.00 0.00 O ATOM 1583 CB MET A 95 -9.670 9.834 0.504 1.00 0.00 C ATOM 1584 CG MET A 95 -9.887 9.779 -0.998 1.00 0.00 C ATOM 1585 SD MET A 95 -10.088 8.101 -1.625 1.00 0.00 S ATOM 1586 CE MET A 95 -8.684 7.267 -0.891 1.00 0.00 C ATOM 0 H MET A 95 -8.607 11.965 -0.300 1.00 0.00 H new ATOM 0 HA MET A 95 -11.038 11.351 1.136 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.639 9.557 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.309 9.092 0.982 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.771 10.363 -1.253 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.040 10.248 -1.498 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.796 6.190 -1.014 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.768 7.595 -1.382 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.632 7.508 0.171 1.00 0.00 H new ATOM 1596 N ILE A 96 -8.138 11.611 2.643 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.499 11.790 3.936 1.00 0.00 C ATOM 1598 C ILE A 96 -6.805 13.145 3.983 1.00 0.00 C ATOM 1599 O ILE A 96 -6.664 13.810 2.952 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.473 10.672 4.241 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.379 10.630 3.171 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -7.172 9.323 4.340 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -4.283 9.623 3.458 1.00 0.00 C ATOM 0 H ILE A 96 -7.523 11.771 1.845 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.279 11.739 4.696 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.003 10.892 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.833 10.394 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.935 11.621 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.437 8.547 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.911 9.354 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.669 9.101 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.545 9.651 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.801 9.869 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.714 8.624 3.520 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.376 13.552 5.168 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.739 14.849 5.340 1.00 0.00 C ATOM 1617 C ARG A 97 -4.280 14.798 4.911 1.00 0.00 C ATOM 1618 O ARG A 97 -3.858 15.533 4.020 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.829 15.305 6.795 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.241 15.602 7.268 1.00 0.00 C ATOM 1621 CD ARG A 97 -7.243 16.026 8.725 1.00 0.00 C ATOM 1622 NE ARG A 97 -8.570 16.415 9.198 1.00 0.00 N ATOM 1623 CZ ARG A 97 -8.805 16.921 10.407 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -7.798 17.133 11.247 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -10.043 17.239 10.762 1.00 0.00 N ATOM 0 H ARG A 97 -6.457 13.004 6.024 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.267 15.564 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.399 14.533 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.220 16.200 6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.677 16.391 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.865 14.718 7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.869 15.206 9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.556 16.862 8.857 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.361 16.292 8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.844 16.908 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.979 17.521 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.813 17.096 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.224 17.627 11.688 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.517 13.927 5.552 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.097 13.786 5.260 1.00 0.00 C ATOM 1641 C PHE A 98 -1.694 12.325 5.335 1.00 0.00 C ATOM 1642 O PHE A 98 -2.449 11.496 5.843 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.246 14.612 6.232 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.369 16.097 6.041 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -0.696 16.732 5.010 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -2.156 16.857 6.892 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -0.808 18.096 4.828 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -2.272 18.222 6.715 1.00 0.00 C ATOM 1649 CZ PHE A 98 -1.597 18.842 5.682 1.00 0.00 C ATOM 0 H PHE A 98 -3.859 13.303 6.283 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.921 14.160 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.534 14.362 7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.200 14.326 6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.077 16.153 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.684 16.377 7.702 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.280 18.579 4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.890 18.803 7.383 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.686 19.909 5.542 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.509 12.018 4.834 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.016 10.648 4.814 1.00 0.00 C ATOM 1661 C ASN A 99 0.459 10.227 6.195 1.00 0.00 C ATOM 1662 O ASN A 99 1.440 10.769 6.707 1.00 0.00 O ATOM 1663 CB ASN A 99 1.149 10.487 3.833 1.00 0.00 C ATOM 1664 CG ASN A 99 0.790 10.803 2.395 1.00 0.00 C ATOM 1665 OD1 ASN A 99 -0.035 11.666 2.115 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.410 10.093 1.469 1.00 0.00 N ATOM 0 H ASN A 99 0.133 12.702 4.434 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.846 10.017 4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.966 11.138 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.519 9.463 3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.208 10.255 0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.090 9.383 1.741 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.219 9.251 6.816 1.00 0.00 N ATOM 1674 CA PRO A 100 0.191 8.705 8.114 1.00 0.00 C ATOM 1675 C PRO A 100 1.576 8.063 8.046 1.00 0.00 C ATOM 1676 O PRO A 100 2.281 7.970 9.048 1.00 0.00 O ATOM 1677 CB PRO A 100 -0.881 7.653 8.423 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.040 8.020 7.563 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.448 8.611 6.318 1.00 0.00 C ATOM 0 HA PRO A 100 0.267 9.477 8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.524 6.648 8.197 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.153 7.665 9.478 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.648 7.146 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.690 8.736 8.066 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.233 7.848 5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.120 9.332 5.853 1.00 0.00 H new ATOM 1687 N ALA A 101 1.969 7.648 6.846 1.00 0.00 N ATOM 1688 CA ALA A 101 3.271 7.027 6.637 1.00 0.00 C ATOM 1689 C ALA A 101 4.405 8.047 6.747 1.00 0.00 C ATOM 1690 O ALA A 101 5.571 7.674 6.866 1.00 0.00 O ATOM 1691 CB ALA A 101 3.312 6.328 5.288 1.00 0.00 C ATOM 0 H ALA A 101 1.402 7.731 6.002 1.00 0.00 H new ATOM 0 HA ALA A 101 3.417 6.286 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.290 5.869 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.541 5.558 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.134 7.055 4.496 1.00 0.00 H new ATOM 1697 N TYR A 102 4.057 9.331 6.703 1.00 0.00 N ATOM 1698 CA TYR A 102 5.036 10.399 6.883 1.00 0.00 C ATOM 1699 C TYR A 102 4.998 10.924 8.315 1.00 0.00 C ATOM 1700 O TYR A 102 5.735 11.844 8.668 1.00 0.00 O ATOM 1701 CB TYR A 102 4.777 11.562 5.918 1.00 0.00 C ATOM 1702 CG TYR A 102 5.199 11.309 4.486 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.439 10.755 4.189 1.00 0.00 C ATOM 1704 CD2 TYR A 102 4.364 11.649 3.430 1.00 0.00 C ATOM 1705 CE1 TYR A 102 6.832 10.546 2.880 1.00 0.00 C ATOM 1706 CE2 TYR A 102 4.747 11.439 2.120 1.00 0.00 C ATOM 1707 CZ TYR A 102 5.982 10.888 1.849 1.00 0.00 C ATOM 1708 OH TYR A 102 6.366 10.679 0.544 1.00 0.00 O ATOM 0 H TYR A 102 3.104 9.657 6.544 1.00 0.00 H new ATOM 0 HA TYR A 102 6.019 9.977 6.672 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.712 11.796 5.932 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.302 12.444 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.106 10.483 4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.398 12.085 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.800 10.117 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.082 11.705 1.311 1.00 0.00 H new ATOM 0 HH TYR A 102 5.651 10.973 -0.058 1.00 0.00 H new ATOM 1718 N ASP A 103 4.130 10.343 9.133 1.00 0.00 N ATOM 1719 CA ASP A 103 3.962 10.797 10.508 1.00 0.00 C ATOM 1720 C ASP A 103 4.992 10.155 11.424 1.00 0.00 C ATOM 1721 O ASP A 103 5.493 10.791 12.350 1.00 0.00 O ATOM 1722 CB ASP A 103 2.546 10.488 11.007 1.00 0.00 C ATOM 1723 CG ASP A 103 2.330 10.878 12.460 1.00 0.00 C ATOM 1724 OD1 ASP A 103 2.062 12.073 12.727 1.00 0.00 O ATOM 1725 OD2 ASP A 103 2.414 9.993 13.337 1.00 0.00 O ATOM 0 H ASP A 103 3.533 9.559 8.870 1.00 0.00 H new ATOM 0 HA ASP A 103 4.113 11.876 10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.824 11.016 10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.350 9.422 10.890 1.00 0.00 H new ATOM 1730 N LEU A 104 5.325 8.902 11.155 1.00 0.00 N ATOM 1731 CA LEU A 104 6.246 8.179 12.013 1.00 0.00 C ATOM 1732 C LEU A 104 7.686 8.306 11.519 1.00 0.00 C ATOM 1733 O LEU A 104 8.096 7.665 10.552 1.00 0.00 O ATOM 1734 CB LEU A 104 5.856 6.700 12.140 1.00 0.00 C ATOM 1735 CG LEU A 104 5.913 5.878 10.851 1.00 0.00 C ATOM 1736 CD1 LEU A 104 6.287 4.442 11.168 1.00 0.00 C ATOM 1737 CD2 LEU A 104 4.579 5.925 10.123 1.00 0.00 C ATOM 0 H LEU A 104 4.975 8.371 10.358 1.00 0.00 H new ATOM 0 HA LEU A 104 6.182 8.634 13.002 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.513 6.233 12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.843 6.645 12.538 1.00 0.00 H new ATOM 0 HG LEU A 104 6.673 6.308 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.325 3.864 10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.264 4.419 11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.541 4.011 11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.642 5.334 9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.799 5.517 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.338 6.958 9.871 1.00 0.00 H new ATOM 1749 N GLU A 105 8.441 9.163 12.180 1.00 0.00 N ATOM 1750 CA GLU A 105 9.876 9.252 11.952 1.00 0.00 C ATOM 1751 C GLU A 105 10.627 8.798 13.196 1.00 0.00 C ATOM 1752 O GLU A 105 11.829 8.541 13.152 1.00 0.00 O ATOM 1753 CB GLU A 105 10.301 10.673 11.575 1.00 0.00 C ATOM 1754 CG GLU A 105 9.940 11.072 10.152 1.00 0.00 C ATOM 1755 CD GLU A 105 10.492 12.435 9.781 1.00 0.00 C ATOM 1756 OE1 GLU A 105 11.693 12.523 9.432 1.00 0.00 O ATOM 1757 OE2 GLU A 105 9.739 13.425 9.857 1.00 0.00 O ATOM 0 H GLU A 105 8.085 9.811 12.883 1.00 0.00 H new ATOM 0 HA GLU A 105 10.123 8.598 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.836 11.375 12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.379 10.765 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.325 10.325 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.856 11.079 10.043 1.00 0.00 H new ATOM 1764 N GLY A 106 9.906 8.681 14.305 1.00 0.00 N ATOM 1765 CA GLY A 106 10.527 8.289 15.555 1.00 0.00 C ATOM 1766 C GLY A 106 10.087 6.915 16.011 1.00 0.00 C ATOM 1767 O GLY A 106 10.360 6.512 17.141 1.00 0.00 O ATOM 0 H GLY A 106 8.902 8.851 14.360 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.611 8.301 15.439 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.281 9.020 16.325 1.00 0.00 H new ATOM 1771 N ALA A 107 9.410 6.192 15.126 1.00 0.00 N ATOM 1772 CA ALA A 107 8.916 4.856 15.442 1.00 0.00 C ATOM 1773 C ALA A 107 9.910 3.790 15.003 1.00 0.00 C ATOM 1774 O ALA A 107 9.675 2.593 15.178 1.00 0.00 O ATOM 1775 CB ALA A 107 7.565 4.622 14.783 1.00 0.00 C ATOM 0 H ALA A 107 9.190 6.509 14.182 1.00 0.00 H new ATOM 0 HA ALA A 107 8.797 4.785 16.523 1.00 0.00 H new ATOM 0 HB1 ALA A 107 7.209 3.621 15.028 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.850 5.360 15.146 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.666 4.717 13.702 1.00 0.00 H new ATOM 1781 N VAL A 108 11.020 4.231 14.431 1.00 0.00 N ATOM 1782 CA VAL A 108 12.062 3.325 13.980 1.00 0.00 C ATOM 1783 C VAL A 108 13.376 4.080 13.804 1.00 0.00 C ATOM 1784 O VAL A 108 13.406 5.162 13.214 1.00 0.00 O ATOM 1785 CB VAL A 108 11.667 2.608 12.662 1.00 0.00 C ATOM 1786 CG1 VAL A 108 11.397 3.604 11.542 1.00 0.00 C ATOM 1787 CG2 VAL A 108 12.737 1.608 12.246 1.00 0.00 C ATOM 0 H VAL A 108 11.222 5.217 14.268 1.00 0.00 H new ATOM 0 HA VAL A 108 12.191 2.558 14.744 1.00 0.00 H new ATOM 0 HB VAL A 108 10.742 2.063 12.851 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.123 3.066 10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.580 4.265 11.832 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.294 4.195 11.357 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.437 1.118 11.320 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.682 2.129 12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.859 0.859 13.029 1.00 0.00 H new ATOM 1797 N GLN A 109 14.451 3.523 14.349 1.00 0.00 N ATOM 1798 CA GLN A 109 15.768 4.150 14.275 1.00 0.00 C ATOM 1799 C GLN A 109 16.332 4.089 12.859 1.00 0.00 C ATOM 1800 O GLN A 109 16.903 5.058 12.362 1.00 0.00 O ATOM 1801 CB GLN A 109 16.747 3.460 15.226 1.00 0.00 C ATOM 1802 CG GLN A 109 16.328 3.493 16.685 1.00 0.00 C ATOM 1803 CD GLN A 109 17.292 2.733 17.578 1.00 0.00 C ATOM 1804 OE1 GLN A 109 17.927 1.707 17.029 1.00 0.00 O flip ATOM 1805 NE2 GLN A 109 17.467 3.061 18.751 1.00 0.00 N flip ATOM 0 H GLN A 109 14.437 2.634 14.849 1.00 0.00 H new ATOM 0 HA GLN A 109 15.645 5.194 14.565 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.865 2.421 14.917 1.00 0.00 H new ATOM 0 HB3 GLN A 109 17.724 3.934 15.130 1.00 0.00 H new ATOM 0 HG2 GLN A 109 16.266 4.529 17.020 1.00 0.00 H new ATOM 0 HG3 GLN A 109 15.330 3.065 16.784 1.00 0.00 H new ATOM 0 HE21 GLN A 109 16.960 3.857 19.139 1.00 0.00 H new ATOM 0 HE22 GLN A 109 18.119 2.537 19.335 1.00 0.00 H new ATOM 1814 N LYS A 110 16.168 2.941 12.218 1.00 0.00 N ATOM 1815 CA LYS A 110 16.774 2.709 10.916 1.00 0.00 C ATOM 1816 C LYS A 110 16.018 3.459 9.822 1.00 0.00 C ATOM 1817 O LYS A 110 14.825 3.746 9.958 1.00 0.00 O ATOM 1818 CB LYS A 110 16.804 1.210 10.596 1.00 0.00 C ATOM 1819 CG LYS A 110 17.823 0.845 9.530 1.00 0.00 C ATOM 1820 CD LYS A 110 17.763 -0.627 9.157 1.00 0.00 C ATOM 1821 CE LYS A 110 18.950 -1.023 8.291 1.00 0.00 C ATOM 1822 NZ LYS A 110 19.114 -0.125 7.114 1.00 0.00 N ATOM 0 H LYS A 110 15.622 2.158 12.577 1.00 0.00 H new ATOM 0 HA LYS A 110 17.797 3.084 10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 110 17.027 0.655 11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 110 15.814 0.896 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 110 17.648 1.451 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 110 18.824 1.086 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 110 17.751 -1.234 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 110 16.835 -0.832 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 110 19.859 -1.001 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 110 18.820 -2.049 7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 19.809 -0.536 6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 18.200 -0.019 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 19.447 0.807 7.432 1.00 0.00 H new ATOM 1836 N LEU A 111 16.726 3.783 8.751 1.00 0.00 N ATOM 1837 CA LEU A 111 16.125 4.436 7.603 1.00 0.00 C ATOM 1838 C LEU A 111 15.679 3.374 6.605 1.00 0.00 C ATOM 1839 O LEU A 111 16.177 2.243 6.638 1.00 0.00 O ATOM 1840 CB LEU A 111 17.132 5.383 6.937 1.00 0.00 C ATOM 1841 CG LEU A 111 17.920 6.293 7.889 1.00 0.00 C ATOM 1842 CD1 LEU A 111 18.858 7.196 7.104 1.00 0.00 C ATOM 1843 CD2 LEU A 111 16.985 7.122 8.756 1.00 0.00 C ATOM 0 H LEU A 111 17.725 3.602 8.655 1.00 0.00 H new ATOM 0 HA LEU A 111 15.266 5.021 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 111 17.842 4.785 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 111 16.596 6.010 6.224 1.00 0.00 H new ATOM 0 HG LEU A 111 18.514 5.659 8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 111 19.410 7.835 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.559 6.586 6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.278 7.816 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.572 7.757 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 111 16.356 7.745 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 111 16.356 6.459 9.350 1.00 0.00 H new ATOM 1855 N GLU A 112 14.760 3.726 5.721 1.00 0.00 N ATOM 1856 CA GLU A 112 14.309 2.793 4.703 1.00 0.00 C ATOM 1857 C GLU A 112 15.357 2.726 3.599 1.00 0.00 C ATOM 1858 O GLU A 112 15.932 3.754 3.220 1.00 0.00 O ATOM 1859 CB GLU A 112 12.951 3.213 4.126 1.00 0.00 C ATOM 1860 CG GLU A 112 11.875 3.435 5.178 1.00 0.00 C ATOM 1861 CD GLU A 112 10.493 3.619 4.578 1.00 0.00 C ATOM 1862 OE1 GLU A 112 10.324 4.466 3.677 1.00 0.00 O ATOM 1863 OE2 GLU A 112 9.556 2.921 5.011 1.00 0.00 O ATOM 0 H GLU A 112 14.315 4.643 5.688 1.00 0.00 H new ATOM 0 HA GLU A 112 14.181 1.809 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 112 13.079 4.131 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.611 2.447 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.859 2.585 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.129 4.314 5.770 1.00 0.00 H new ATOM 1870 N HIS A 113 15.619 1.527 3.095 1.00 0.00 N ATOM 1871 CA HIS A 113 16.670 1.332 2.099 1.00 0.00 C ATOM 1872 C HIS A 113 16.223 1.854 0.735 1.00 0.00 C ATOM 1873 O HIS A 113 15.951 1.083 -0.190 1.00 0.00 O ATOM 1874 CB HIS A 113 17.071 -0.146 2.014 1.00 0.00 C ATOM 1875 CG HIS A 113 18.324 -0.387 1.226 1.00 0.00 C ATOM 1876 ND1 HIS A 113 18.666 -1.619 0.710 1.00 0.00 N ATOM 1877 CD2 HIS A 113 19.329 0.452 0.877 1.00 0.00 C ATOM 1878 CE1 HIS A 113 19.822 -1.529 0.083 1.00 0.00 C ATOM 1879 NE2 HIS A 113 20.244 -0.283 0.168 1.00 0.00 N ATOM 0 H HIS A 113 15.121 0.676 3.357 1.00 0.00 H new ATOM 0 HA HIS A 113 17.546 1.902 2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 113 17.207 -0.535 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 113 16.254 -0.709 1.562 1.00 0.00 H new ATOM 0 HD2 HIS A 113 19.397 1.504 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 113 20.336 -2.338 -0.415 1.00 0.00 H new ATOM 0 HE2 HIS A 113 21.112 0.077 -0.230 1.00 0.00 H new ATOM 1888 N HIS A 114 16.148 3.173 0.631 1.00 0.00 N ATOM 1889 CA HIS A 114 15.692 3.845 -0.578 1.00 0.00 C ATOM 1890 C HIS A 114 15.829 5.354 -0.411 1.00 0.00 C ATOM 1891 O HIS A 114 16.016 6.087 -1.381 1.00 0.00 O ATOM 1892 CB HIS A 114 14.227 3.481 -0.874 1.00 0.00 C ATOM 1893 CG HIS A 114 13.712 4.026 -2.172 1.00 0.00 C ATOM 1894 ND1 HIS A 114 13.958 3.428 -3.385 1.00 0.00 N ATOM 1895 CD2 HIS A 114 12.951 5.115 -2.439 1.00 0.00 C ATOM 1896 CE1 HIS A 114 13.374 4.123 -4.344 1.00 0.00 C ATOM 1897 NE2 HIS A 114 12.754 5.153 -3.797 1.00 0.00 N ATOM 0 H HIS A 114 16.403 3.810 1.386 1.00 0.00 H new ATOM 0 HA HIS A 114 16.308 3.518 -1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 114 14.128 2.396 -0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 114 13.601 3.851 -0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 114 12.570 5.822 -1.717 1.00 0.00 H new ATOM 0 HE1 HIS A 114 13.399 3.889 -5.398 1.00 0.00 H new ATOM 0 HE2 HIS A 114 12.218 5.860 -4.300 1.00 0.00 H new ATOM 1906 N HIS A 115 15.740 5.814 0.830 1.00 0.00 N ATOM 1907 CA HIS A 115 15.793 7.243 1.114 1.00 0.00 C ATOM 1908 C HIS A 115 17.201 7.658 1.507 1.00 0.00 C ATOM 1909 O HIS A 115 18.104 6.828 1.607 1.00 0.00 O ATOM 1910 CB HIS A 115 14.845 7.616 2.257 1.00 0.00 C ATOM 1911 CG HIS A 115 13.428 7.173 2.073 1.00 0.00 C ATOM 1912 ND1 HIS A 115 12.411 8.020 1.707 1.00 0.00 N ATOM 1913 CD2 HIS A 115 12.856 5.967 2.261 1.00 0.00 C ATOM 1914 CE1 HIS A 115 11.274 7.352 1.681 1.00 0.00 C ATOM 1915 NE2 HIS A 115 11.514 6.098 2.015 1.00 0.00 N ATOM 0 H HIS A 115 15.631 5.222 1.653 1.00 0.00 H new ATOM 0 HA HIS A 115 15.489 7.763 0.205 1.00 0.00 H new ATOM 0 HB2 HIS A 115 15.228 7.184 3.182 1.00 0.00 H new ATOM 0 HB3 HIS A 115 14.858 8.699 2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.364 5.060 2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.308 7.763 1.428 1.00 0.00 H new ATOM 0 HE2 HIS A 115 10.820 5.354 2.079 1.00 0.00 H new ATOM 1924 N HIS A 116 17.376 8.950 1.719 1.00 0.00 N ATOM 1925 CA HIS A 116 18.604 9.484 2.283 1.00 0.00 C ATOM 1926 C HIS A 116 18.291 10.250 3.561 1.00 0.00 C ATOM 1927 O HIS A 116 19.164 10.476 4.392 1.00 0.00 O ATOM 1928 CB HIS A 116 19.325 10.391 1.281 1.00 0.00 C ATOM 1929 CG HIS A 116 20.054 9.640 0.208 1.00 0.00 C ATOM 1930 ND1 HIS A 116 20.418 10.202 -0.994 1.00 0.00 N ATOM 1931 CD2 HIS A 116 20.508 8.365 0.172 1.00 0.00 C ATOM 1932 CE1 HIS A 116 21.059 9.309 -1.721 1.00 0.00 C ATOM 1933 NE2 HIS A 116 21.129 8.184 -1.038 1.00 0.00 N ATOM 0 H HIS A 116 16.673 9.658 1.506 1.00 0.00 H new ATOM 0 HA HIS A 116 19.268 8.651 2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 116 18.597 11.056 0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 116 20.034 11.020 1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 116 20.401 7.626 0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 116 21.460 9.472 -2.711 1.00 0.00 H new ATOM 0 HE2 HIS A 116 21.571 7.322 -1.356 1.00 0.00 H new ATOM 1942 N HIS A 117 17.033 10.653 3.700 1.00 0.00 N ATOM 1943 CA HIS A 117 16.565 11.312 4.913 1.00 0.00 C ATOM 1944 C HIS A 117 16.109 10.268 5.931 1.00 0.00 C ATOM 1945 O HIS A 117 16.679 10.155 7.016 1.00 0.00 O ATOM 1946 CB HIS A 117 15.423 12.287 4.582 1.00 0.00 C ATOM 1947 CG HIS A 117 14.815 12.962 5.781 1.00 0.00 C ATOM 1948 ND1 HIS A 117 15.282 14.149 6.301 1.00 0.00 N ATOM 1949 CD2 HIS A 117 13.763 12.603 6.557 1.00 0.00 C ATOM 1950 CE1 HIS A 117 14.545 14.489 7.345 1.00 0.00 C ATOM 1951 NE2 HIS A 117 13.618 13.566 7.519 1.00 0.00 N ATOM 0 H HIS A 117 16.316 10.534 2.984 1.00 0.00 H new ATOM 0 HA HIS A 117 17.385 11.883 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 117 15.800 13.051 3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.641 11.745 4.050 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.152 11.720 6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 117 14.679 15.372 7.952 1.00 0.00 H new ATOM 0 HE2 HIS A 117 12.908 13.570 8.252 1.00 0.00 H new ATOM 1960 N HIS A 118 15.080 9.513 5.576 1.00 0.00 N ATOM 1961 CA HIS A 118 14.587 8.441 6.425 1.00 0.00 C ATOM 1962 C HIS A 118 13.804 7.451 5.580 1.00 0.00 C ATOM 1963 O HIS A 118 12.709 7.815 5.117 1.00 0.00 O ATOM 1964 CB HIS A 118 13.700 8.982 7.553 1.00 0.00 C ATOM 1965 CG HIS A 118 13.536 8.018 8.692 1.00 0.00 C ATOM 1966 ND1 HIS A 118 13.653 8.392 10.011 1.00 0.00 N ATOM 1967 CD2 HIS A 118 13.296 6.686 8.703 1.00 0.00 C ATOM 1968 CE1 HIS A 118 13.499 7.332 10.782 1.00 0.00 C ATOM 1969 NE2 HIS A 118 13.281 6.279 10.016 1.00 0.00 N ATOM 1970 OXT HIS A 118 14.290 6.324 5.383 1.00 0.00 O ATOM 0 H HIS A 118 14.568 9.625 4.701 1.00 0.00 H new ATOM 0 HA HIS A 118 15.442 7.944 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 118 14.129 9.910 7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 118 12.718 9.226 7.148 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.831 9.340 10.341 1.00 0.00 H new ATOM 0 HD2 HIS A 118 13.144 6.057 7.838 1.00 0.00 H new ATOM 0 HE1 HIS A 118 13.544 7.327 11.861 1.00 0.00 H new TER 1979 HIS A 118