USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 833 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 47 ASN : amide:sc= -0.958! X(o=-0.18!,f=-0.039) USER MOD Set 1.2: A 49 THR OG1 : rot 13:sc= 0.778 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0335 (180deg=-0.37) USER MOD Single : A 2 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.72) USER MOD Single : A 4 GLN : amide:sc= -0.0938 K(o=-0.094,f=-1.6!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.362 K(o=-0.36,f=-4.1!) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.253 USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= 0.0153 (180deg=-0.37) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 0.243 (180deg=0.0761) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.89) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0203) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -170:sc= -0.367 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 59 CYS SG : rot -23:sc= 0.85 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.032) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0166) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0826 K(o=-0.083,f=-1.5!) USER MOD Single : A 85 ASN : amide:sc= -2.81 K(o=-2.8,f=-3.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.6) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.153 -4.924 -5.795 1.00 63.52 N ATOM 2 CA MET A 1 -3.457 -4.364 -6.129 1.00 62.51 C ATOM 3 C MET A 1 -3.407 -2.840 -6.145 1.00 75.31 C ATOM 4 O MET A 1 -4.003 -2.182 -5.293 1.00 30.53 O ATOM 5 CB MET A 1 -4.512 -4.842 -5.129 1.00 43.22 C ATOM 6 CG MET A 1 -4.804 -6.331 -5.218 1.00 2.24 C ATOM 7 SD MET A 1 -5.869 -6.748 -6.611 1.00 74.31 S ATOM 8 CE MET A 1 -5.546 -8.503 -6.769 1.00 60.43 C ATOM 0 H1 MET A 1 -2.109 -5.914 -6.111 1.00 63.52 H new ATOM 0 H2 MET A 1 -1.408 -4.375 -6.270 1.00 63.52 H new ATOM 0 H3 MET A 1 -2.011 -4.883 -4.766 1.00 63.52 H new ATOM 0 HA MET A 1 -3.729 -4.710 -7.126 1.00 62.51 H new ATOM 0 HB2 MET A 1 -4.177 -4.606 -4.119 1.00 43.22 H new ATOM 0 HB3 MET A 1 -5.436 -4.288 -5.296 1.00 43.22 H new ATOM 0 HG2 MET A 1 -3.865 -6.877 -5.308 1.00 2.24 H new ATOM 0 HG3 MET A 1 -5.277 -6.660 -4.293 1.00 2.24 H new ATOM 0 HE1 MET A 1 -6.134 -8.909 -7.592 1.00 60.43 H new ATOM 0 HE2 MET A 1 -4.486 -8.661 -6.968 1.00 60.43 H new ATOM 0 HE3 MET A 1 -5.821 -9.008 -5.843 1.00 60.43 H new ATOM 18 N GLN A 2 -2.693 -2.286 -7.119 1.00 4.23 N ATOM 19 CA GLN A 2 -2.565 -0.839 -7.243 1.00 63.24 C ATOM 20 C GLN A 2 -2.697 -0.404 -8.700 1.00 13.41 C ATOM 21 O GLN A 2 -1.865 -0.750 -9.537 1.00 62.24 O ATOM 22 CB GLN A 2 -1.220 -0.375 -6.680 1.00 53.54 C ATOM 23 CG GLN A 2 -1.218 -0.210 -5.169 1.00 64.32 C ATOM 24 CD GLN A 2 -1.834 1.102 -4.724 1.00 22.45 C ATOM 25 OE1 GLN A 2 -1.616 2.144 -5.342 1.00 13.32 O ATOM 26 NE2 GLN A 2 -2.608 1.057 -3.645 1.00 64.31 N ATOM 0 H GLN A 2 -2.195 -2.817 -7.833 1.00 4.23 H new ATOM 0 HA GLN A 2 -3.370 -0.378 -6.670 1.00 63.24 H new ATOM 0 HB2 GLN A 2 -0.451 -1.095 -6.960 1.00 53.54 H new ATOM 0 HB3 GLN A 2 -0.951 0.575 -7.141 1.00 53.54 H new ATOM 0 HG2 GLN A 2 -1.766 -1.036 -4.716 1.00 64.32 H new ATOM 0 HG3 GLN A 2 -0.193 -0.269 -4.802 1.00 64.32 H new ATOM 0 HE21 GLN A 2 -2.761 0.171 -3.164 1.00 64.31 H new ATOM 0 HE22 GLN A 2 -3.049 1.909 -3.298 1.00 64.31 H new ATOM 35 N GLU A 3 -3.748 0.356 -8.992 1.00 23.30 N ATOM 36 CA GLU A 3 -3.989 0.836 -10.347 1.00 64.24 C ATOM 37 C GLU A 3 -5.021 1.960 -10.351 1.00 50.42 C ATOM 38 O GLU A 3 -5.988 1.929 -9.592 1.00 53.20 O ATOM 39 CB GLU A 3 -4.465 -0.311 -11.242 1.00 3.13 C ATOM 40 CG GLU A 3 -5.703 -1.018 -10.718 1.00 12.14 C ATOM 41 CD GLU A 3 -5.872 -2.408 -11.300 1.00 4.52 C ATOM 42 OE1 GLU A 3 -5.045 -2.799 -12.150 1.00 4.40 O ATOM 43 OE2 GLU A 3 -6.830 -3.104 -10.906 1.00 34.21 O ATOM 0 H GLU A 3 -4.445 0.652 -8.309 1.00 23.30 H new ATOM 0 HA GLU A 3 -3.050 1.227 -10.738 1.00 64.24 H new ATOM 0 HB2 GLU A 3 -4.674 0.079 -12.238 1.00 3.13 H new ATOM 0 HB3 GLU A 3 -3.659 -1.037 -11.347 1.00 3.13 H new ATOM 0 HG2 GLU A 3 -5.644 -1.088 -9.632 1.00 12.14 H new ATOM 0 HG3 GLU A 3 -6.584 -0.421 -10.952 1.00 12.14 H new ATOM 50 N GLN A 4 -4.805 2.950 -11.210 1.00 40.35 N ATOM 51 CA GLN A 4 -5.715 4.085 -11.312 1.00 43.11 C ATOM 52 C GLN A 4 -6.696 3.895 -12.464 1.00 14.54 C ATOM 53 O GLN A 4 -6.409 4.259 -13.604 1.00 22.33 O ATOM 54 CB GLN A 4 -4.927 5.382 -11.507 1.00 12.13 C ATOM 55 CG GLN A 4 -3.933 5.663 -10.392 1.00 2.31 C ATOM 56 CD GLN A 4 -4.583 6.282 -9.171 1.00 42.41 C ATOM 57 OE1 GLN A 4 -5.644 6.901 -9.265 1.00 63.11 O ATOM 58 NE2 GLN A 4 -3.950 6.120 -8.015 1.00 45.41 N ATOM 0 H GLN A 4 -4.008 2.990 -11.845 1.00 40.35 H new ATOM 0 HA GLN A 4 -6.282 4.148 -10.383 1.00 43.11 H new ATOM 0 HB2 GLN A 4 -4.392 5.333 -12.456 1.00 12.13 H new ATOM 0 HB3 GLN A 4 -5.626 6.215 -11.578 1.00 12.13 H new ATOM 0 HG2 GLN A 4 -3.443 4.733 -10.105 1.00 2.31 H new ATOM 0 HG3 GLN A 4 -3.156 6.332 -10.763 1.00 2.31 H new ATOM 0 HE21 GLN A 4 -3.073 5.600 -7.982 1.00 45.41 H new ATOM 0 HE22 GLN A 4 -4.341 6.516 -7.160 1.00 45.41 H new ATOM 67 N VAL A 5 -7.856 3.322 -12.158 1.00 31.24 N ATOM 68 CA VAL A 5 -8.880 3.084 -13.168 1.00 13.10 C ATOM 69 C VAL A 5 -10.176 2.594 -12.531 1.00 12.30 C ATOM 70 O VAL A 5 -10.156 1.890 -11.521 1.00 53.33 O ATOM 71 CB VAL A 5 -8.412 2.052 -14.210 1.00 21.25 C ATOM 72 CG1 VAL A 5 -8.207 0.691 -13.561 1.00 1.45 C ATOM 73 CG2 VAL A 5 -9.410 1.960 -15.354 1.00 32.40 C ATOM 0 H VAL A 5 -8.110 3.014 -11.219 1.00 31.24 H new ATOM 0 HA VAL A 5 -9.060 4.036 -13.667 1.00 13.10 H new ATOM 0 HB VAL A 5 -7.456 2.382 -14.617 1.00 21.25 H new ATOM 0 HG11 VAL A 5 -7.876 -0.025 -14.314 1.00 1.45 H new ATOM 0 HG12 VAL A 5 -7.452 0.771 -12.779 1.00 1.45 H new ATOM 0 HG13 VAL A 5 -9.146 0.351 -13.125 1.00 1.45 H new ATOM 0 HG21 VAL A 5 -9.063 1.226 -16.081 1.00 32.40 H new ATOM 0 HG22 VAL A 5 -10.382 1.655 -14.966 1.00 32.40 H new ATOM 0 HG23 VAL A 5 -9.501 2.933 -15.836 1.00 32.40 H new ATOM 83 N SER A 6 -11.303 2.971 -13.128 1.00 5.05 N ATOM 84 CA SER A 6 -12.609 2.573 -12.617 1.00 1.10 C ATOM 85 C SER A 6 -13.194 1.435 -13.449 1.00 40.11 C ATOM 86 O SER A 6 -13.627 1.639 -14.583 1.00 11.53 O ATOM 87 CB SER A 6 -13.566 3.766 -12.620 1.00 21.10 C ATOM 88 OG SER A 6 -14.904 3.347 -12.414 1.00 53.03 O ATOM 0 H SER A 6 -11.337 3.552 -13.966 1.00 5.05 H new ATOM 0 HA SER A 6 -12.480 2.222 -11.593 1.00 1.10 H new ATOM 0 HB2 SER A 6 -13.278 4.470 -11.839 1.00 21.10 H new ATOM 0 HB3 SER A 6 -13.489 4.295 -13.570 1.00 21.10 H new ATOM 0 HG SER A 6 -15.496 4.128 -12.419 1.00 53.03 H new ATOM 94 N ASN A 7 -13.202 0.236 -12.877 1.00 32.34 N ATOM 95 CA ASN A 7 -13.732 -0.936 -13.564 1.00 51.24 C ATOM 96 C ASN A 7 -14.275 -1.954 -12.565 1.00 44.31 C ATOM 97 O ASN A 7 -13.949 -1.911 -11.380 1.00 5.15 O ATOM 98 CB ASN A 7 -12.647 -1.581 -14.428 1.00 74.11 C ATOM 99 CG ASN A 7 -11.473 -2.077 -13.606 1.00 61.55 C ATOM 100 OD1 ASN A 7 -11.332 -1.732 -12.433 1.00 55.42 O ATOM 101 ND2 ASN A 7 -10.623 -2.893 -14.221 1.00 51.53 N ATOM 0 H ASN A 7 -12.847 0.050 -11.939 1.00 32.34 H new ATOM 0 HA ASN A 7 -14.551 -0.610 -14.205 1.00 51.24 H new ATOM 0 HB2 ASN A 7 -13.076 -2.415 -14.983 1.00 74.11 H new ATOM 0 HB3 ASN A 7 -12.293 -0.857 -15.162 1.00 74.11 H new ATOM 0 HD21 ASN A 7 -9.814 -3.260 -13.719 1.00 51.53 H new ATOM 0 HD22 ASN A 7 -10.779 -3.152 -15.195 1.00 51.53 H new ATOM 108 N VAL A 8 -15.106 -2.869 -13.054 1.00 42.04 N ATOM 109 CA VAL A 8 -15.694 -3.899 -12.205 1.00 44.21 C ATOM 110 C VAL A 8 -15.068 -5.262 -12.483 1.00 13.50 C ATOM 111 O VAL A 8 -14.156 -5.382 -13.300 1.00 63.24 O ATOM 112 CB VAL A 8 -17.217 -3.994 -12.410 1.00 30.12 C ATOM 113 CG1 VAL A 8 -17.903 -2.737 -11.898 1.00 75.22 C ATOM 114 CG2 VAL A 8 -17.543 -4.230 -13.878 1.00 10.14 C ATOM 0 H VAL A 8 -15.387 -2.918 -14.033 1.00 42.04 H new ATOM 0 HA VAL A 8 -15.492 -3.613 -11.173 1.00 44.21 H new ATOM 0 HB VAL A 8 -17.592 -4.843 -11.838 1.00 30.12 H new ATOM 0 HG11 VAL A 8 -18.979 -2.822 -12.051 1.00 75.22 H new ATOM 0 HG12 VAL A 8 -17.696 -2.617 -10.835 1.00 75.22 H new ATOM 0 HG13 VAL A 8 -17.526 -1.870 -12.441 1.00 75.22 H new ATOM 0 HG21 VAL A 8 -18.624 -4.295 -14.005 1.00 10.14 H new ATOM 0 HG22 VAL A 8 -17.156 -3.403 -14.474 1.00 10.14 H new ATOM 0 HG23 VAL A 8 -17.083 -5.161 -14.208 1.00 10.14 H new ATOM 124 N ARG A 9 -15.565 -6.285 -11.796 1.00 60.32 N ATOM 125 CA ARG A 9 -15.055 -7.640 -11.968 1.00 64.22 C ATOM 126 C ARG A 9 -16.183 -8.662 -11.870 1.00 11.12 C ATOM 127 O ARG A 9 -17.162 -8.455 -11.152 1.00 2.01 O ATOM 128 CB ARG A 9 -13.985 -7.942 -10.917 1.00 61.34 C ATOM 129 CG ARG A 9 -12.701 -7.154 -11.112 1.00 42.14 C ATOM 130 CD ARG A 9 -11.929 -7.016 -9.809 1.00 4.13 C ATOM 131 NE ARG A 9 -11.655 -8.312 -9.195 1.00 73.43 N ATOM 132 CZ ARG A 9 -10.705 -8.510 -8.288 1.00 32.14 C ATOM 133 NH1 ARG A 9 -9.943 -7.500 -7.891 1.00 31.54 N ATOM 134 NH2 ARG A 9 -10.517 -9.720 -7.775 1.00 11.41 N ATOM 0 H ARG A 9 -16.320 -6.202 -11.115 1.00 60.32 H new ATOM 0 HA ARG A 9 -14.610 -7.711 -12.960 1.00 64.22 H new ATOM 0 HB2 ARG A 9 -14.388 -7.725 -9.928 1.00 61.34 H new ATOM 0 HB3 ARG A 9 -13.755 -9.007 -10.941 1.00 61.34 H new ATOM 0 HG2 ARG A 9 -12.077 -7.651 -11.855 1.00 42.14 H new ATOM 0 HG3 ARG A 9 -12.936 -6.164 -11.504 1.00 42.14 H new ATOM 0 HD2 ARG A 9 -10.989 -6.498 -9.998 1.00 4.13 H new ATOM 0 HD3 ARG A 9 -12.498 -6.399 -9.114 1.00 4.13 H new ATOM 0 HE ARG A 9 -12.225 -9.109 -9.478 1.00 73.43 H new ATOM 0 HH11 ARG A 9 -10.086 -6.569 -8.282 1.00 31.54 H new ATOM 0 HH12 ARG A 9 -9.214 -7.654 -7.194 1.00 31.54 H new ATOM 0 HH21 ARG A 9 -11.102 -10.499 -8.077 1.00 11.41 H new ATOM 0 HH22 ARG A 9 -9.787 -9.871 -7.079 1.00 11.41 H new ATOM 148 N ALA A 10 -16.040 -9.766 -12.596 1.00 12.33 N ATOM 149 CA ALA A 10 -17.045 -10.822 -12.589 1.00 53.54 C ATOM 150 C ALA A 10 -16.608 -11.992 -11.714 1.00 54.32 C ATOM 151 O ALA A 10 -15.583 -12.622 -11.972 1.00 22.11 O ATOM 152 CB ALA A 10 -17.323 -11.295 -14.008 1.00 13.32 C ATOM 0 H ALA A 10 -15.237 -9.952 -13.197 1.00 12.33 H new ATOM 0 HA ALA A 10 -17.963 -10.412 -12.168 1.00 53.54 H new ATOM 0 HB1 ALA A 10 -18.075 -12.084 -13.988 1.00 13.32 H new ATOM 0 HB2 ALA A 10 -17.689 -10.460 -14.605 1.00 13.32 H new ATOM 0 HB3 ALA A 10 -16.404 -11.681 -14.449 1.00 13.32 H new ATOM 158 N ARG A 11 -17.392 -12.276 -10.680 1.00 2.33 N ATOM 159 CA ARG A 11 -17.084 -13.369 -9.765 1.00 21.02 C ATOM 160 C ARG A 11 -17.838 -14.635 -10.158 1.00 73.31 C ATOM 161 O ARG A 11 -19.036 -14.761 -9.900 1.00 20.14 O ATOM 162 CB ARG A 11 -17.436 -12.977 -8.329 1.00 61.04 C ATOM 163 CG ARG A 11 -16.815 -11.662 -7.887 1.00 44.32 C ATOM 164 CD ARG A 11 -16.591 -11.630 -6.383 1.00 24.41 C ATOM 165 NE ARG A 11 -17.848 -11.594 -5.643 1.00 33.21 N ATOM 166 CZ ARG A 11 -17.957 -11.931 -4.362 1.00 74.24 C ATOM 167 NH1 ARG A 11 -16.889 -12.326 -3.684 1.00 31.42 N ATOM 168 NH2 ARG A 11 -19.137 -11.872 -3.757 1.00 43.11 N ATOM 0 H ARG A 11 -18.245 -11.765 -10.454 1.00 2.33 H new ATOM 0 HA ARG A 11 -16.014 -13.570 -9.826 1.00 21.02 H new ATOM 0 HB2 ARG A 11 -18.520 -12.907 -8.236 1.00 61.04 H new ATOM 0 HB3 ARG A 11 -17.109 -13.768 -7.655 1.00 61.04 H new ATOM 0 HG2 ARG A 11 -15.865 -11.516 -8.401 1.00 44.32 H new ATOM 0 HG3 ARG A 11 -17.464 -10.836 -8.177 1.00 44.32 H new ATOM 0 HD2 ARG A 11 -16.019 -12.508 -6.083 1.00 24.41 H new ATOM 0 HD3 ARG A 11 -15.993 -10.756 -6.124 1.00 24.41 H new ATOM 0 HE ARG A 11 -18.689 -11.294 -6.136 1.00 33.21 H new ATOM 0 HH11 ARG A 11 -15.980 -12.372 -4.145 1.00 31.42 H new ATOM 0 HH12 ARG A 11 -16.976 -12.584 -2.701 1.00 31.42 H new ATOM 0 HH21 ARG A 11 -19.961 -11.568 -4.275 1.00 43.11 H new ATOM 0 HH22 ARG A 11 -19.220 -12.131 -2.774 1.00 43.11 H new ATOM 182 N ILE A 12 -17.131 -15.570 -10.785 1.00 13.43 N ATOM 183 CA ILE A 12 -17.735 -16.826 -11.212 1.00 44.34 C ATOM 184 C ILE A 12 -17.331 -17.972 -10.290 1.00 53.55 C ATOM 185 O ILE A 12 -16.156 -18.135 -9.964 1.00 22.43 O ATOM 186 CB ILE A 12 -17.334 -17.179 -12.657 1.00 71.42 C ATOM 187 CG1 ILE A 12 -17.698 -16.035 -13.604 1.00 61.35 C ATOM 188 CG2 ILE A 12 -18.009 -18.471 -13.093 1.00 35.42 C ATOM 189 CD1 ILE A 12 -17.065 -16.159 -14.973 1.00 51.05 C ATOM 0 H ILE A 12 -16.140 -15.481 -11.008 1.00 13.43 H new ATOM 0 HA ILE A 12 -18.815 -16.689 -11.165 1.00 44.34 H new ATOM 0 HB ILE A 12 -16.255 -17.326 -12.694 1.00 71.42 H new ATOM 0 HG12 ILE A 12 -18.782 -15.997 -13.716 1.00 61.35 H new ATOM 0 HG13 ILE A 12 -17.391 -15.091 -13.155 1.00 61.35 H new ATOM 0 HG21 ILE A 12 -17.716 -18.707 -14.116 1.00 35.42 H new ATOM 0 HG22 ILE A 12 -17.704 -19.282 -12.432 1.00 35.42 H new ATOM 0 HG23 ILE A 12 -19.091 -18.351 -13.044 1.00 35.42 H new ATOM 0 HD11 ILE A 12 -17.367 -15.314 -15.591 1.00 51.05 H new ATOM 0 HD12 ILE A 12 -15.980 -16.166 -14.873 1.00 51.05 H new ATOM 0 HD13 ILE A 12 -17.392 -17.087 -15.442 1.00 51.05 H new ATOM 201 N TYR A 13 -18.314 -18.762 -9.874 1.00 71.52 N ATOM 202 CA TYR A 13 -18.063 -19.893 -8.989 1.00 52.34 C ATOM 203 C TYR A 13 -19.090 -20.999 -9.214 1.00 4.11 C ATOM 204 O TYR A 13 -20.235 -20.736 -9.583 1.00 4.52 O ATOM 205 CB TYR A 13 -18.096 -19.441 -7.528 1.00 10.31 C ATOM 206 CG TYR A 13 -19.372 -18.726 -7.144 1.00 75.42 C ATOM 207 CD1 TYR A 13 -19.549 -17.377 -7.427 1.00 20.43 C ATOM 208 CD2 TYR A 13 -20.401 -19.400 -6.497 1.00 3.41 C ATOM 209 CE1 TYR A 13 -20.712 -16.721 -7.077 1.00 11.55 C ATOM 210 CE2 TYR A 13 -21.569 -18.751 -6.145 1.00 22.12 C ATOM 211 CZ TYR A 13 -21.720 -17.412 -6.437 1.00 42.01 C ATOM 212 OH TYR A 13 -22.881 -16.761 -6.086 1.00 31.22 O ATOM 0 H TYR A 13 -19.292 -18.640 -10.135 1.00 71.52 H new ATOM 0 HA TYR A 13 -17.073 -20.289 -9.218 1.00 52.34 H new ATOM 0 HB2 TYR A 13 -17.969 -20.311 -6.884 1.00 10.31 H new ATOM 0 HB3 TYR A 13 -17.249 -18.781 -7.342 1.00 10.31 H new ATOM 0 HD1 TYR A 13 -18.763 -16.833 -7.929 1.00 20.43 H new ATOM 0 HD2 TYR A 13 -20.286 -20.449 -6.265 1.00 3.41 H new ATOM 0 HE1 TYR A 13 -20.832 -15.672 -7.303 1.00 11.55 H new ATOM 0 HE2 TYR A 13 -22.359 -19.290 -5.644 1.00 22.12 H new ATOM 0 HH TYR A 13 -23.054 -16.036 -6.722 1.00 31.22 H new ATOM 222 N LYS A 14 -18.671 -22.240 -8.987 1.00 45.13 N ATOM 223 CA LYS A 14 -19.551 -23.389 -9.163 1.00 42.11 C ATOM 224 C LYS A 14 -19.902 -24.015 -7.817 1.00 21.42 C ATOM 225 O LYS A 14 -19.217 -24.912 -7.325 1.00 54.02 O ATOM 226 CB LYS A 14 -18.890 -24.432 -10.066 1.00 43.54 C ATOM 227 CG LYS A 14 -19.746 -25.664 -10.302 1.00 54.20 C ATOM 228 CD LYS A 14 -19.065 -26.645 -11.240 1.00 72.31 C ATOM 229 CE LYS A 14 -18.194 -27.632 -10.479 1.00 2.14 C ATOM 230 NZ LYS A 14 -19.005 -28.561 -9.645 1.00 74.31 N ATOM 0 H LYS A 14 -17.727 -22.475 -8.681 1.00 45.13 H new ATOM 0 HA LYS A 14 -20.471 -23.042 -9.634 1.00 42.11 H new ATOM 0 HB2 LYS A 14 -18.657 -23.973 -11.027 1.00 43.54 H new ATOM 0 HB3 LYS A 14 -17.943 -24.738 -9.621 1.00 43.54 H new ATOM 0 HG2 LYS A 14 -19.952 -26.153 -9.350 1.00 54.20 H new ATOM 0 HG3 LYS A 14 -20.707 -25.366 -10.721 1.00 54.20 H new ATOM 0 HD2 LYS A 14 -19.819 -27.188 -11.810 1.00 72.31 H new ATOM 0 HD3 LYS A 14 -18.454 -26.098 -11.959 1.00 72.31 H new ATOM 0 HE2 LYS A 14 -17.595 -28.207 -11.185 1.00 2.14 H new ATOM 0 HE3 LYS A 14 -17.498 -27.086 -9.842 1.00 2.14 H new ATOM 0 HZ1 LYS A 14 -18.798 -28.395 -8.639 1.00 74.31 H new ATOM 0 HZ2 LYS A 14 -20.016 -28.394 -9.823 1.00 74.31 H new ATOM 0 HZ3 LYS A 14 -18.768 -29.544 -9.889 1.00 74.31 H new ATOM 244 N PRO A 15 -20.996 -23.535 -7.206 1.00 44.11 N ATOM 245 CA PRO A 15 -21.463 -24.035 -5.910 1.00 5.24 C ATOM 246 C PRO A 15 -22.018 -25.452 -6.001 1.00 65.33 C ATOM 247 O PRO A 15 -22.497 -25.875 -7.054 1.00 13.55 O ATOM 248 CB PRO A 15 -22.571 -23.051 -5.528 1.00 44.21 C ATOM 249 CG PRO A 15 -23.058 -22.506 -6.827 1.00 1.12 C ATOM 250 CD PRO A 15 -21.860 -22.466 -7.735 1.00 1.32 C ATOM 0 HA PRO A 15 -20.655 -24.092 -5.181 1.00 5.24 H new ATOM 0 HB2 PRO A 15 -23.372 -23.549 -4.982 1.00 44.21 H new ATOM 0 HB3 PRO A 15 -22.192 -22.258 -4.883 1.00 44.21 H new ATOM 0 HG2 PRO A 15 -23.843 -23.136 -7.245 1.00 1.12 H new ATOM 0 HG3 PRO A 15 -23.483 -21.511 -6.698 1.00 1.12 H new ATOM 0 HD2 PRO A 15 -22.136 -22.649 -8.773 1.00 1.32 H new ATOM 0 HD3 PRO A 15 -21.364 -21.496 -7.704 1.00 1.32 H new ATOM 258 N ALA A 16 -21.949 -26.182 -4.893 1.00 63.43 N ATOM 259 CA ALA A 16 -22.446 -27.552 -4.849 1.00 52.04 C ATOM 260 C ALA A 16 -23.892 -27.595 -4.362 1.00 24.05 C ATOM 261 O ALA A 16 -24.237 -26.976 -3.355 1.00 71.23 O ATOM 262 CB ALA A 16 -21.561 -28.407 -3.955 1.00 41.43 C ATOM 0 H ALA A 16 -21.554 -25.848 -4.014 1.00 63.43 H new ATOM 0 HA ALA A 16 -22.418 -27.955 -5.861 1.00 52.04 H new ATOM 0 HB1 ALA A 16 -21.944 -29.427 -3.932 1.00 41.43 H new ATOM 0 HB2 ALA A 16 -20.544 -28.411 -4.346 1.00 41.43 H new ATOM 0 HB3 ALA A 16 -21.560 -27.997 -2.945 1.00 41.43 H new ATOM 268 N LYS A 17 -24.732 -28.330 -5.083 1.00 71.04 N ATOM 269 CA LYS A 17 -26.140 -28.455 -4.725 1.00 51.43 C ATOM 270 C LYS A 17 -26.608 -29.901 -4.855 1.00 11.54 C ATOM 271 O LYS A 17 -25.868 -30.763 -5.329 1.00 5.44 O ATOM 272 CB LYS A 17 -26.995 -27.548 -5.614 1.00 33.32 C ATOM 273 CG LYS A 17 -26.512 -26.110 -5.660 1.00 53.21 C ATOM 274 CD LYS A 17 -27.531 -25.200 -6.326 1.00 65.33 C ATOM 275 CE LYS A 17 -27.670 -25.511 -7.809 1.00 32.45 C ATOM 276 NZ LYS A 17 -28.284 -24.381 -8.558 1.00 64.42 N ATOM 0 H LYS A 17 -24.462 -28.848 -5.919 1.00 71.04 H new ATOM 0 HA LYS A 17 -26.254 -28.147 -3.686 1.00 51.43 H new ATOM 0 HB2 LYS A 17 -27.005 -27.951 -6.627 1.00 33.32 H new ATOM 0 HB3 LYS A 17 -28.024 -27.565 -5.254 1.00 33.32 H new ATOM 0 HG2 LYS A 17 -26.316 -25.758 -4.647 1.00 53.21 H new ATOM 0 HG3 LYS A 17 -25.568 -26.060 -6.203 1.00 53.21 H new ATOM 0 HD2 LYS A 17 -28.498 -25.315 -5.837 1.00 65.33 H new ATOM 0 HD3 LYS A 17 -27.231 -24.160 -6.198 1.00 65.33 H new ATOM 0 HE2 LYS A 17 -26.688 -25.733 -8.227 1.00 32.45 H new ATOM 0 HE3 LYS A 17 -28.280 -26.405 -7.937 1.00 32.45 H new ATOM 0 HZ1 LYS A 17 -27.977 -24.416 -9.551 1.00 64.42 H new ATOM 0 HZ2 LYS A 17 -29.320 -24.457 -8.513 1.00 64.42 H new ATOM 0 HZ3 LYS A 17 -27.984 -23.480 -8.134 1.00 64.42 H new ATOM 290 N SER A 18 -27.841 -30.159 -4.432 1.00 53.22 N ATOM 291 CA SER A 18 -28.407 -31.501 -4.499 1.00 41.33 C ATOM 292 C SER A 18 -28.927 -31.802 -5.902 1.00 54.30 C ATOM 293 O SER A 18 -29.535 -30.948 -6.548 1.00 70.53 O ATOM 294 CB SER A 18 -29.537 -31.652 -3.480 1.00 34.02 C ATOM 295 OG SER A 18 -29.163 -31.122 -2.220 1.00 21.24 O ATOM 0 H SER A 18 -28.467 -29.456 -4.039 1.00 53.22 H new ATOM 0 HA SER A 18 -27.617 -32.214 -4.263 1.00 41.33 H new ATOM 0 HB2 SER A 18 -30.429 -31.141 -3.843 1.00 34.02 H new ATOM 0 HB3 SER A 18 -29.795 -32.705 -3.373 1.00 34.02 H new ATOM 0 HG SER A 18 -29.903 -31.229 -1.587 1.00 21.24 H new ATOM 301 N THR A 19 -28.683 -33.023 -6.367 1.00 11.01 N ATOM 302 CA THR A 19 -29.125 -33.438 -7.692 1.00 72.42 C ATOM 303 C THR A 19 -30.132 -34.580 -7.604 1.00 40.33 C ATOM 304 O THR A 19 -31.120 -34.605 -8.336 1.00 13.21 O ATOM 305 CB THR A 19 -27.937 -33.883 -8.566 1.00 22.03 C ATOM 306 OG1 THR A 19 -26.971 -34.575 -7.766 1.00 75.14 O ATOM 307 CG2 THR A 19 -27.282 -32.687 -9.239 1.00 30.12 C ATOM 0 H THR A 19 -28.182 -33.742 -5.845 1.00 11.01 H new ATOM 0 HA THR A 19 -29.601 -32.572 -8.152 1.00 72.42 H new ATOM 0 HB THR A 19 -28.315 -34.553 -9.339 1.00 22.03 H new ATOM 0 HG1 THR A 19 -26.220 -34.856 -8.330 1.00 75.14 H new ATOM 0 HG21 THR A 19 -26.446 -33.026 -9.851 1.00 30.12 H new ATOM 0 HG22 THR A 19 -28.012 -32.180 -9.871 1.00 30.12 H new ATOM 0 HG23 THR A 19 -26.918 -31.996 -8.479 1.00 30.12 H new ATOM 315 N MET A 20 -29.874 -35.522 -6.702 1.00 11.33 N ATOM 316 CA MET A 20 -30.761 -36.664 -6.517 1.00 23.22 C ATOM 317 C MET A 20 -30.849 -37.496 -7.793 1.00 51.13 C ATOM 318 O MET A 20 -31.906 -38.038 -8.118 1.00 24.21 O ATOM 319 CB MET A 20 -32.156 -36.194 -6.103 1.00 3.42 C ATOM 320 CG MET A 20 -32.144 -35.183 -4.967 1.00 61.41 C ATOM 321 SD MET A 20 -33.790 -34.865 -4.304 1.00 21.44 S ATOM 322 CE MET A 20 -33.574 -35.383 -2.602 1.00 41.42 C ATOM 0 H MET A 20 -29.059 -35.517 -6.089 1.00 11.33 H new ATOM 0 HA MET A 20 -30.347 -37.288 -5.725 1.00 23.22 H new ATOM 0 HB2 MET A 20 -32.653 -35.752 -6.967 1.00 3.42 H new ATOM 0 HB3 MET A 20 -32.748 -37.059 -5.803 1.00 3.42 H new ATOM 0 HG2 MET A 20 -31.499 -35.548 -4.168 1.00 61.41 H new ATOM 0 HG3 MET A 20 -31.713 -34.247 -5.323 1.00 61.41 H new ATOM 0 HE1 MET A 20 -34.509 -35.247 -2.059 1.00 41.42 H new ATOM 0 HE2 MET A 20 -33.289 -36.435 -2.575 1.00 41.42 H new ATOM 0 HE3 MET A 20 -32.793 -34.783 -2.135 1.00 41.42 H new ATOM 332 N GLN A 21 -29.735 -37.590 -8.512 1.00 71.11 N ATOM 333 CA GLN A 21 -29.689 -38.354 -9.753 1.00 40.01 C ATOM 334 C GLN A 21 -30.778 -37.894 -10.716 1.00 14.22 C ATOM 335 O GLN A 21 -31.515 -38.709 -11.270 1.00 61.41 O ATOM 336 CB GLN A 21 -29.846 -39.848 -9.463 1.00 3.40 C ATOM 337 CG GLN A 21 -28.635 -40.466 -8.782 1.00 70.12 C ATOM 338 CD GLN A 21 -28.531 -40.086 -7.319 1.00 21.34 C ATOM 339 OE1 GLN A 21 -29.519 -40.122 -6.585 1.00 23.04 O ATOM 340 NE2 GLN A 21 -27.330 -39.721 -6.885 1.00 61.12 N ATOM 0 H GLN A 21 -28.853 -37.147 -8.256 1.00 71.11 H new ATOM 0 HA GLN A 21 -28.720 -38.182 -10.220 1.00 40.01 H new ATOM 0 HB2 GLN A 21 -30.723 -39.997 -8.832 1.00 3.40 H new ATOM 0 HB3 GLN A 21 -30.034 -40.374 -10.399 1.00 3.40 H new ATOM 0 HG2 GLN A 21 -28.689 -41.551 -8.869 1.00 70.12 H new ATOM 0 HG3 GLN A 21 -27.730 -40.149 -9.301 1.00 70.12 H new ATOM 0 HE21 GLN A 21 -26.538 -39.705 -7.528 1.00 61.12 H new ATOM 0 HE22 GLN A 21 -27.199 -39.456 -5.909 1.00 61.12 H new ATOM 349 N SER A 22 -30.875 -36.582 -10.910 1.00 0.00 N ATOM 350 CA SER A 22 -31.877 -36.013 -11.804 1.00 14.13 C ATOM 351 C SER A 22 -31.510 -36.264 -13.263 1.00 21.12 C ATOM 352 O SER A 22 -30.344 -36.167 -13.647 1.00 35.33 O ATOM 353 CB SER A 22 -32.020 -34.511 -11.553 1.00 65.11 C ATOM 354 OG SER A 22 -30.845 -33.816 -11.936 1.00 73.42 O ATOM 0 H SER A 22 -30.272 -35.893 -10.460 1.00 0.00 H new ATOM 0 HA SER A 22 -32.830 -36.501 -11.599 1.00 14.13 H new ATOM 0 HB2 SER A 22 -32.873 -34.125 -12.111 1.00 65.11 H new ATOM 0 HB3 SER A 22 -32.224 -34.333 -10.497 1.00 65.11 H new ATOM 0 HG SER A 22 -30.962 -32.858 -11.767 1.00 73.42 H new ATOM 360 N GLY A 23 -32.514 -36.588 -14.072 1.00 0.13 N ATOM 361 CA GLY A 23 -32.277 -36.849 -15.480 1.00 33.55 C ATOM 362 C GLY A 23 -31.685 -35.653 -16.199 1.00 71.22 C ATOM 363 O GLY A 23 -30.465 -35.496 -16.258 1.00 12.00 O ATOM 0 H GLY A 23 -33.487 -36.674 -13.778 1.00 0.13 H new ATOM 0 HA2 GLY A 23 -31.603 -37.700 -15.580 1.00 33.55 H new ATOM 0 HA3 GLY A 23 -33.216 -37.128 -15.958 1.00 33.55 H new ATOM 367 N HIS A 24 -32.551 -34.809 -16.751 1.00 15.23 N ATOM 368 CA HIS A 24 -32.107 -33.621 -17.472 1.00 0.43 C ATOM 369 C HIS A 24 -31.645 -32.538 -16.501 1.00 42.32 C ATOM 370 O HIS A 24 -32.236 -32.349 -15.438 1.00 23.35 O ATOM 371 CB HIS A 24 -33.233 -33.083 -18.354 1.00 75.23 C ATOM 372 CG HIS A 24 -33.388 -33.826 -19.646 1.00 31.20 C ATOM 373 ND1 HIS A 24 -34.151 -34.967 -19.771 1.00 72.21 N ATOM 374 CD2 HIS A 24 -32.873 -33.583 -20.874 1.00 73.00 C ATOM 375 CE1 HIS A 24 -34.099 -35.395 -21.020 1.00 64.31 C ATOM 376 NE2 HIS A 24 -33.329 -34.572 -21.710 1.00 71.14 N ATOM 0 H HIS A 24 -33.564 -34.925 -16.713 1.00 15.23 H new ATOM 0 HA HIS A 24 -31.264 -33.903 -18.103 1.00 0.43 H new ATOM 0 HB2 HIS A 24 -34.171 -33.132 -17.801 1.00 75.23 H new ATOM 0 HB3 HIS A 24 -33.044 -32.031 -18.569 1.00 75.23 H new ATOM 0 HD2 HIS A 24 -32.224 -32.764 -21.146 1.00 73.00 H new ATOM 0 HE1 HIS A 24 -34.600 -36.268 -21.410 1.00 64.31 H new ATOM 0 HE2 HIS A 24 -33.109 -34.658 -22.702 1.00 71.14 H new ATOM 384 N SER A 25 -30.584 -31.829 -16.876 1.00 0.13 N ATOM 385 CA SER A 25 -30.039 -30.768 -16.036 1.00 60.25 C ATOM 386 C SER A 25 -30.052 -29.432 -16.773 1.00 34.42 C ATOM 387 O SER A 25 -29.006 -28.917 -17.167 1.00 51.34 O ATOM 388 CB SER A 25 -28.612 -31.112 -15.605 1.00 43.54 C ATOM 389 OG SER A 25 -28.200 -30.306 -14.515 1.00 24.10 O ATOM 0 H SER A 25 -30.086 -31.970 -17.755 1.00 0.13 H new ATOM 0 HA SER A 25 -30.667 -30.681 -15.150 1.00 60.25 H new ATOM 0 HB2 SER A 25 -28.557 -32.164 -15.325 1.00 43.54 H new ATOM 0 HB3 SER A 25 -27.931 -30.970 -16.444 1.00 43.54 H new ATOM 0 HG SER A 25 -27.285 -30.546 -14.258 1.00 24.10 H new ATOM 395 N LYS A 26 -31.245 -28.876 -16.955 1.00 75.21 N ATOM 396 CA LYS A 26 -31.398 -27.600 -17.643 1.00 54.43 C ATOM 397 C LYS A 26 -31.633 -26.469 -16.646 1.00 35.31 C ATOM 398 O LYS A 26 -32.532 -25.647 -16.826 1.00 34.12 O ATOM 399 CB LYS A 26 -32.561 -27.668 -18.636 1.00 32.34 C ATOM 400 CG LYS A 26 -32.554 -26.544 -19.658 1.00 31.53 C ATOM 401 CD LYS A 26 -31.656 -26.871 -20.840 1.00 23.30 C ATOM 402 CE LYS A 26 -32.322 -27.854 -21.791 1.00 20.14 C ATOM 403 NZ LYS A 26 -33.360 -27.196 -22.631 1.00 13.25 N ATOM 0 H LYS A 26 -32.121 -29.290 -16.635 1.00 75.21 H new ATOM 0 HA LYS A 26 -30.475 -27.396 -18.187 1.00 54.43 H new ATOM 0 HB2 LYS A 26 -32.526 -28.624 -19.159 1.00 32.34 H new ATOM 0 HB3 LYS A 26 -33.501 -27.641 -18.085 1.00 32.34 H new ATOM 0 HG2 LYS A 26 -33.570 -26.365 -20.010 1.00 31.53 H new ATOM 0 HG3 LYS A 26 -32.214 -25.623 -19.185 1.00 31.53 H new ATOM 0 HD2 LYS A 26 -31.410 -25.954 -21.376 1.00 23.30 H new ATOM 0 HD3 LYS A 26 -30.717 -27.291 -20.480 1.00 23.30 H new ATOM 0 HE2 LYS A 26 -31.567 -28.305 -22.434 1.00 20.14 H new ATOM 0 HE3 LYS A 26 -32.777 -28.662 -21.218 1.00 20.14 H new ATOM 0 HZ1 LYS A 26 -33.730 -27.878 -23.323 1.00 13.25 H new ATOM 0 HZ2 LYS A 26 -34.136 -26.861 -22.025 1.00 13.25 H new ATOM 0 HZ3 LYS A 26 -32.940 -26.388 -23.133 1.00 13.25 H new ATOM 417 N LEU A 27 -30.820 -26.434 -15.597 1.00 11.43 N ATOM 418 CA LEU A 27 -30.938 -25.403 -14.571 1.00 41.12 C ATOM 419 C LEU A 27 -29.603 -24.697 -14.353 1.00 35.03 C ATOM 420 O LEU A 27 -28.564 -25.147 -14.836 1.00 55.32 O ATOM 421 CB LEU A 27 -31.425 -26.016 -13.258 1.00 52.12 C ATOM 422 CG LEU A 27 -32.875 -26.500 -13.240 1.00 72.31 C ATOM 423 CD1 LEU A 27 -32.984 -27.880 -13.870 1.00 62.40 C ATOM 424 CD2 LEU A 27 -33.415 -26.518 -11.818 1.00 32.00 C ATOM 0 H LEU A 27 -30.072 -27.107 -15.434 1.00 11.43 H new ATOM 0 HA LEU A 27 -31.666 -24.667 -14.912 1.00 41.12 H new ATOM 0 HB2 LEU A 27 -30.779 -26.859 -13.012 1.00 52.12 H new ATOM 0 HB3 LEU A 27 -31.300 -25.277 -12.467 1.00 52.12 H new ATOM 0 HG LEU A 27 -33.476 -25.805 -13.826 1.00 72.31 H new ATOM 0 HD11 LEU A 27 -34.023 -28.209 -13.849 1.00 62.40 H new ATOM 0 HD12 LEU A 27 -32.638 -27.837 -14.903 1.00 62.40 H new ATOM 0 HD13 LEU A 27 -32.369 -28.585 -13.311 1.00 62.40 H new ATOM 0 HD21 LEU A 27 -34.448 -26.865 -11.826 1.00 32.00 H new ATOM 0 HD22 LEU A 27 -32.811 -27.190 -11.208 1.00 32.00 H new ATOM 0 HD23 LEU A 27 -33.373 -25.512 -11.400 1.00 32.00 H new ATOM 436 N LYS A 28 -29.639 -23.589 -13.620 1.00 32.43 N ATOM 437 CA LYS A 28 -28.433 -22.822 -13.332 1.00 52.24 C ATOM 438 C LYS A 28 -27.362 -23.707 -12.702 1.00 72.12 C ATOM 439 O LYS A 28 -27.575 -24.295 -11.643 1.00 23.51 O ATOM 440 CB LYS A 28 -28.758 -21.653 -12.400 1.00 73.01 C ATOM 441 CG LYS A 28 -29.824 -20.718 -12.943 1.00 60.35 C ATOM 442 CD LYS A 28 -30.640 -20.092 -11.826 1.00 40.12 C ATOM 443 CE LYS A 28 -31.695 -21.053 -11.299 1.00 23.30 C ATOM 444 NZ LYS A 28 -32.904 -21.080 -12.169 1.00 23.15 N ATOM 0 H LYS A 28 -30.491 -23.202 -13.214 1.00 32.43 H new ATOM 0 HA LYS A 28 -28.048 -22.431 -14.274 1.00 52.24 H new ATOM 0 HB2 LYS A 28 -29.088 -22.047 -11.439 1.00 73.01 H new ATOM 0 HB3 LYS A 28 -27.847 -21.083 -12.215 1.00 73.01 H new ATOM 0 HG2 LYS A 28 -29.353 -19.933 -13.534 1.00 60.35 H new ATOM 0 HG3 LYS A 28 -30.485 -21.268 -13.613 1.00 60.35 H new ATOM 0 HD2 LYS A 28 -29.978 -19.796 -11.013 1.00 40.12 H new ATOM 0 HD3 LYS A 28 -31.122 -19.185 -12.191 1.00 40.12 H new ATOM 0 HE2 LYS A 28 -31.273 -22.056 -11.233 1.00 23.30 H new ATOM 0 HE3 LYS A 28 -31.981 -20.760 -10.289 1.00 23.30 H new ATOM 0 HZ1 LYS A 28 -33.599 -21.746 -11.776 1.00 23.15 H new ATOM 0 HZ2 LYS A 28 -33.322 -20.129 -12.212 1.00 23.15 H new ATOM 0 HZ3 LYS A 28 -32.636 -21.384 -13.127 1.00 23.15 H new ATOM 458 N ALA A 29 -26.211 -23.795 -13.360 1.00 73.13 N ATOM 459 CA ALA A 29 -25.106 -24.604 -12.863 1.00 34.43 C ATOM 460 C ALA A 29 -23.965 -23.726 -12.361 1.00 72.40 C ATOM 461 O ALA A 29 -23.323 -24.041 -11.359 1.00 51.21 O ATOM 462 CB ALA A 29 -24.612 -25.547 -13.950 1.00 31.22 C ATOM 0 H ALA A 29 -26.020 -23.315 -14.240 1.00 73.13 H new ATOM 0 HA ALA A 29 -25.470 -25.195 -12.023 1.00 34.43 H new ATOM 0 HB1 ALA A 29 -23.786 -26.145 -13.565 1.00 31.22 H new ATOM 0 HB2 ALA A 29 -25.425 -26.205 -14.258 1.00 31.22 H new ATOM 0 HB3 ALA A 29 -24.271 -24.967 -14.807 1.00 31.22 H new ATOM 468 N TRP A 30 -23.717 -22.627 -13.063 1.00 74.44 N ATOM 469 CA TRP A 30 -22.652 -21.704 -12.689 1.00 20.23 C ATOM 470 C TRP A 30 -23.227 -20.401 -12.145 1.00 62.22 C ATOM 471 O TRP A 30 -24.220 -19.887 -12.658 1.00 74.21 O ATOM 472 CB TRP A 30 -21.752 -21.417 -13.892 1.00 2.14 C ATOM 473 CG TRP A 30 -20.829 -22.549 -14.229 1.00 34.33 C ATOM 474 CD1 TRP A 30 -21.103 -23.617 -15.035 1.00 4.50 C ATOM 475 CD2 TRP A 30 -19.487 -22.727 -13.765 1.00 35.31 C ATOM 476 NE1 TRP A 30 -20.010 -24.448 -15.102 1.00 13.31 N ATOM 477 CE2 TRP A 30 -19.006 -23.925 -14.331 1.00 44.21 C ATOM 478 CE3 TRP A 30 -18.644 -21.992 -12.928 1.00 10.11 C ATOM 479 CZ2 TRP A 30 -17.721 -24.400 -14.085 1.00 1.41 C ATOM 480 CZ3 TRP A 30 -17.369 -22.466 -12.684 1.00 42.41 C ATOM 481 CH2 TRP A 30 -16.917 -23.660 -13.262 1.00 65.13 C ATOM 0 H TRP A 30 -24.239 -22.353 -13.895 1.00 74.44 H new ATOM 0 HA TRP A 30 -22.058 -22.172 -11.904 1.00 20.23 H new ATOM 0 HB2 TRP A 30 -22.376 -21.196 -14.758 1.00 2.14 H new ATOM 0 HB3 TRP A 30 -21.161 -20.524 -13.689 1.00 2.14 H new ATOM 0 HD1 TRP A 30 -22.040 -23.784 -15.545 1.00 4.50 H new ATOM 0 HE1 TRP A 30 -19.956 -25.314 -15.639 1.00 13.31 H new ATOM 0 HE3 TRP A 30 -18.983 -21.070 -12.480 1.00 10.11 H new ATOM 0 HZ2 TRP A 30 -17.371 -25.321 -14.528 1.00 1.41 H new ATOM 0 HZ3 TRP A 30 -16.710 -21.907 -12.037 1.00 42.41 H new ATOM 0 HH2 TRP A 30 -15.914 -24.003 -13.054 1.00 65.13 H new ATOM 492 N LYS A 31 -22.596 -19.870 -11.103 1.00 64.42 N ATOM 493 CA LYS A 31 -23.043 -18.625 -10.491 1.00 23.12 C ATOM 494 C LYS A 31 -22.108 -17.475 -10.851 1.00 21.10 C ATOM 495 O LYS A 31 -20.886 -17.610 -10.785 1.00 71.33 O ATOM 496 CB LYS A 31 -23.116 -18.780 -8.970 1.00 53.22 C ATOM 497 CG LYS A 31 -24.279 -19.637 -8.500 1.00 65.03 C ATOM 498 CD LYS A 31 -24.792 -19.187 -7.143 1.00 3.53 C ATOM 499 CE LYS A 31 -26.270 -19.499 -6.974 1.00 41.13 C ATOM 500 NZ LYS A 31 -26.820 -18.916 -5.719 1.00 54.42 N ATOM 0 H LYS A 31 -21.773 -20.283 -10.665 1.00 64.42 H new ATOM 0 HA LYS A 31 -24.037 -18.395 -10.876 1.00 23.12 H new ATOM 0 HB2 LYS A 31 -22.185 -19.219 -8.613 1.00 53.22 H new ATOM 0 HB3 LYS A 31 -23.197 -17.792 -8.516 1.00 53.22 H new ATOM 0 HG2 LYS A 31 -25.087 -19.587 -9.230 1.00 65.03 H new ATOM 0 HG3 LYS A 31 -23.964 -20.679 -8.444 1.00 65.03 H new ATOM 0 HD2 LYS A 31 -24.223 -19.681 -6.356 1.00 3.53 H new ATOM 0 HD3 LYS A 31 -24.630 -18.115 -7.029 1.00 3.53 H new ATOM 0 HE2 LYS A 31 -26.823 -19.109 -7.828 1.00 41.13 H new ATOM 0 HE3 LYS A 31 -26.415 -20.579 -6.966 1.00 41.13 H new ATOM 0 HZ1 LYS A 31 -27.830 -19.151 -5.641 1.00 54.42 H new ATOM 0 HZ2 LYS A 31 -26.309 -19.307 -4.902 1.00 54.42 H new ATOM 0 HZ3 LYS A 31 -26.705 -17.882 -5.737 1.00 54.42 H new ATOM 514 N LEU A 32 -22.691 -16.343 -11.231 1.00 31.24 N ATOM 515 CA LEU A 32 -21.910 -15.168 -11.600 1.00 65.02 C ATOM 516 C LEU A 32 -22.337 -13.952 -10.785 1.00 2.40 C ATOM 517 O LEU A 32 -23.511 -13.583 -10.771 1.00 64.51 O ATOM 518 CB LEU A 32 -22.067 -14.875 -13.094 1.00 32.14 C ATOM 519 CG LEU A 32 -21.309 -13.657 -13.623 1.00 1.41 C ATOM 520 CD1 LEU A 32 -22.111 -12.386 -13.388 1.00 2.24 C ATOM 521 CD2 LEU A 32 -19.939 -13.555 -12.967 1.00 34.40 C ATOM 0 H LEU A 32 -23.701 -16.214 -11.292 1.00 31.24 H new ATOM 0 HA LEU A 32 -20.862 -15.377 -11.385 1.00 65.02 H new ATOM 0 HB2 LEU A 32 -21.739 -15.752 -13.652 1.00 32.14 H new ATOM 0 HB3 LEU A 32 -23.127 -14.739 -13.308 1.00 32.14 H new ATOM 0 HG LEU A 32 -21.167 -13.779 -14.697 1.00 1.41 H new ATOM 0 HD11 LEU A 32 -21.556 -11.530 -13.771 1.00 2.24 H new ATOM 0 HD12 LEU A 32 -23.068 -12.459 -13.905 1.00 2.24 H new ATOM 0 HD13 LEU A 32 -22.285 -12.258 -12.320 1.00 2.24 H new ATOM 0 HD21 LEU A 32 -19.414 -12.683 -13.355 1.00 34.40 H new ATOM 0 HD22 LEU A 32 -20.059 -13.456 -11.888 1.00 34.40 H new ATOM 0 HD23 LEU A 32 -19.362 -14.453 -13.187 1.00 34.40 H new ATOM 533 N GLU A 33 -21.376 -13.332 -10.107 1.00 3.02 N ATOM 534 CA GLU A 33 -21.653 -12.156 -9.290 1.00 64.33 C ATOM 535 C GLU A 33 -20.677 -11.028 -9.612 1.00 53.41 C ATOM 536 O GLU A 33 -19.521 -11.052 -9.190 1.00 71.44 O ATOM 537 CB GLU A 33 -21.569 -12.510 -7.804 1.00 50.20 C ATOM 538 CG GLU A 33 -21.636 -11.300 -6.887 1.00 31.11 C ATOM 539 CD GLU A 33 -22.846 -10.428 -7.158 1.00 12.10 C ATOM 540 OE1 GLU A 33 -22.831 -9.689 -8.165 1.00 12.13 O ATOM 541 OE2 GLU A 33 -23.809 -10.484 -6.363 1.00 63.32 O ATOM 0 H GLU A 33 -20.399 -13.625 -10.107 1.00 3.02 H new ATOM 0 HA GLU A 33 -22.663 -11.815 -9.519 1.00 64.33 H new ATOM 0 HB2 GLU A 33 -22.383 -13.190 -7.554 1.00 50.20 H new ATOM 0 HB3 GLU A 33 -20.638 -13.045 -7.618 1.00 50.20 H new ATOM 0 HG2 GLU A 33 -21.660 -11.636 -5.850 1.00 31.11 H new ATOM 0 HG3 GLU A 33 -20.730 -10.706 -7.009 1.00 31.11 H new ATOM 548 N PHE A 34 -21.153 -10.040 -10.363 1.00 3.53 N ATOM 549 CA PHE A 34 -20.323 -8.902 -10.743 1.00 43.54 C ATOM 550 C PHE A 34 -20.350 -7.824 -9.664 1.00 52.10 C ATOM 551 O PHE A 34 -21.389 -7.562 -9.060 1.00 33.33 O ATOM 552 CB PHE A 34 -20.800 -8.318 -12.074 1.00 72.13 C ATOM 553 CG PHE A 34 -22.097 -7.567 -11.969 1.00 21.33 C ATOM 554 CD1 PHE A 34 -23.306 -8.244 -11.953 1.00 32.01 C ATOM 555 CD2 PHE A 34 -22.107 -6.184 -11.885 1.00 63.25 C ATOM 556 CE1 PHE A 34 -24.500 -7.556 -11.857 1.00 1.25 C ATOM 557 CE2 PHE A 34 -23.298 -5.489 -11.790 1.00 34.44 C ATOM 558 CZ PHE A 34 -24.497 -6.178 -11.773 1.00 41.53 C ATOM 0 H PHE A 34 -22.108 -10.004 -10.720 1.00 3.53 H new ATOM 0 HA PHE A 34 -19.297 -9.254 -10.855 1.00 43.54 H new ATOM 0 HB2 PHE A 34 -20.033 -7.649 -12.464 1.00 72.13 H new ATOM 0 HB3 PHE A 34 -20.915 -9.126 -12.796 1.00 72.13 H new ATOM 0 HD1 PHE A 34 -23.315 -9.322 -12.016 1.00 32.01 H new ATOM 0 HD2 PHE A 34 -21.173 -5.642 -11.894 1.00 63.25 H new ATOM 0 HE1 PHE A 34 -25.435 -8.096 -11.848 1.00 1.25 H new ATOM 0 HE2 PHE A 34 -23.292 -4.411 -11.729 1.00 34.44 H new ATOM 0 HZ PHE A 34 -25.430 -5.639 -11.694 1.00 41.53 H new ATOM 568 N GLU A 35 -19.198 -7.203 -9.427 1.00 72.00 N ATOM 569 CA GLU A 35 -19.090 -6.155 -8.418 1.00 63.45 C ATOM 570 C GLU A 35 -20.059 -5.013 -8.714 1.00 34.54 C ATOM 571 O GLU A 35 -20.540 -4.848 -9.835 1.00 44.11 O ATOM 572 CB GLU A 35 -17.658 -5.620 -8.361 1.00 12.43 C ATOM 573 CG GLU A 35 -16.752 -6.404 -7.427 1.00 60.51 C ATOM 574 CD GLU A 35 -17.281 -6.456 -6.007 1.00 11.00 C ATOM 575 OE1 GLU A 35 -16.948 -5.549 -5.215 1.00 62.32 O ATOM 576 OE2 GLU A 35 -18.030 -7.403 -5.687 1.00 60.10 O ATOM 0 H GLU A 35 -18.328 -7.407 -9.919 1.00 72.00 H new ATOM 0 HA GLU A 35 -19.349 -6.587 -7.451 1.00 63.45 H new ATOM 0 HB2 GLU A 35 -17.233 -5.636 -9.365 1.00 12.43 H new ATOM 0 HB3 GLU A 35 -17.681 -4.578 -8.042 1.00 12.43 H new ATOM 0 HG2 GLU A 35 -16.638 -7.420 -7.806 1.00 60.51 H new ATOM 0 HG3 GLU A 35 -15.760 -5.952 -7.425 1.00 60.51 H new ATOM 583 N PRO A 36 -20.356 -4.209 -7.683 1.00 44.03 N ATOM 584 CA PRO A 36 -21.270 -3.069 -7.806 1.00 21.33 C ATOM 585 C PRO A 36 -20.681 -1.941 -8.646 1.00 33.24 C ATOM 586 O PRO A 36 -19.574 -1.471 -8.382 1.00 64.01 O ATOM 587 CB PRO A 36 -21.464 -2.612 -6.358 1.00 35.31 C ATOM 588 CG PRO A 36 -20.234 -3.066 -5.650 1.00 35.35 C ATOM 589 CD PRO A 36 -19.820 -4.348 -6.318 1.00 51.53 C ATOM 0 HA PRO A 36 -22.197 -3.343 -8.309 1.00 21.33 H new ATOM 0 HB2 PRO A 36 -21.580 -1.530 -6.296 1.00 35.31 H new ATOM 0 HB3 PRO A 36 -22.359 -3.054 -5.920 1.00 35.31 H new ATOM 0 HG2 PRO A 36 -19.445 -2.317 -5.720 1.00 35.35 H new ATOM 0 HG3 PRO A 36 -20.430 -3.224 -4.590 1.00 35.35 H new ATOM 0 HD2 PRO A 36 -18.737 -4.468 -6.322 1.00 51.53 H new ATOM 0 HD3 PRO A 36 -20.235 -5.218 -5.810 1.00 51.53 H new ATOM 597 N SER A 37 -21.428 -1.510 -9.657 1.00 51.40 N ATOM 598 CA SER A 37 -20.977 -0.439 -10.537 1.00 53.45 C ATOM 599 C SER A 37 -21.698 0.867 -10.216 1.00 42.35 C ATOM 600 O SER A 37 -21.175 1.955 -10.465 1.00 54.24 O ATOM 601 CB SER A 37 -21.215 -0.819 -12.000 1.00 50.33 C ATOM 602 OG SER A 37 -22.523 -1.329 -12.189 1.00 12.32 O ATOM 0 H SER A 37 -22.348 -1.886 -9.887 1.00 51.40 H new ATOM 0 HA SER A 37 -19.909 -0.294 -10.375 1.00 53.45 H new ATOM 0 HB2 SER A 37 -21.067 0.055 -12.634 1.00 50.33 H new ATOM 0 HB3 SER A 37 -20.483 -1.565 -12.309 1.00 50.33 H new ATOM 0 HG SER A 37 -22.599 -1.709 -13.089 1.00 12.32 H new ATOM 608 N CYS A 38 -22.900 0.752 -9.662 1.00 43.32 N ATOM 609 CA CYS A 38 -23.694 1.923 -9.306 1.00 22.21 C ATOM 610 C CYS A 38 -24.056 2.731 -10.548 1.00 42.40 C ATOM 611 O CYS A 38 -24.112 3.961 -10.508 1.00 61.23 O ATOM 612 CB CYS A 38 -22.928 2.802 -8.316 1.00 32.31 C ATOM 613 SG CYS A 38 -22.230 1.899 -6.914 1.00 32.21 S ATOM 0 H CYS A 38 -23.346 -0.140 -9.450 1.00 43.32 H new ATOM 0 HA CYS A 38 -24.616 1.579 -8.837 1.00 22.21 H new ATOM 0 HB2 CYS A 38 -22.122 3.309 -8.846 1.00 32.31 H new ATOM 0 HB3 CYS A 38 -23.598 3.575 -7.939 1.00 32.31 H new ATOM 0 HG CYS A 38 -21.600 2.727 -6.135 1.00 32.21 H new ATOM 619 N THR A 39 -24.300 2.032 -11.652 1.00 72.23 N ATOM 620 CA THR A 39 -24.655 2.685 -12.907 1.00 21.22 C ATOM 621 C THR A 39 -26.146 2.553 -13.193 1.00 1.15 C ATOM 622 O THR A 39 -26.771 1.556 -12.830 1.00 52.00 O ATOM 623 CB THR A 39 -23.863 2.095 -14.089 1.00 33.12 C ATOM 624 OG1 THR A 39 -24.129 2.846 -15.279 1.00 62.31 O ATOM 625 CG2 THR A 39 -24.229 0.635 -14.312 1.00 5.24 C ATOM 0 H THR A 39 -24.258 1.014 -11.703 1.00 72.23 H new ATOM 0 HA THR A 39 -24.401 3.739 -12.798 1.00 21.22 H new ATOM 0 HB THR A 39 -22.801 2.154 -13.852 1.00 33.12 H new ATOM 0 HG1 THR A 39 -23.621 2.466 -16.026 1.00 62.31 H new ATOM 0 HG21 THR A 39 -23.657 0.241 -15.152 1.00 5.24 H new ATOM 0 HG22 THR A 39 -23.999 0.061 -13.414 1.00 5.24 H new ATOM 0 HG23 THR A 39 -25.294 0.556 -14.530 1.00 5.24 H new ATOM 633 N GLN A 40 -26.710 3.563 -13.846 1.00 40.11 N ATOM 634 CA GLN A 40 -28.129 3.559 -14.180 1.00 54.20 C ATOM 635 C GLN A 40 -28.413 2.609 -15.339 1.00 21.12 C ATOM 636 O GLN A 40 -28.388 3.010 -16.503 1.00 71.13 O ATOM 637 CB GLN A 40 -28.595 4.972 -14.538 1.00 32.43 C ATOM 638 CG GLN A 40 -28.306 6.000 -13.455 1.00 22.20 C ATOM 639 CD GLN A 40 -29.002 7.323 -13.707 1.00 5.24 C ATOM 640 OE1 GLN A 40 -28.564 8.120 -14.537 1.00 25.24 O ATOM 641 NE2 GLN A 40 -30.092 7.564 -12.989 1.00 42.35 N ATOM 0 H GLN A 40 -26.206 4.395 -14.154 1.00 40.11 H new ATOM 0 HA GLN A 40 -28.681 3.212 -13.306 1.00 54.20 H new ATOM 0 HB2 GLN A 40 -28.108 5.283 -15.462 1.00 32.43 H new ATOM 0 HB3 GLN A 40 -29.667 4.954 -14.733 1.00 32.43 H new ATOM 0 HG2 GLN A 40 -28.623 5.605 -12.490 1.00 22.20 H new ATOM 0 HG3 GLN A 40 -27.230 6.165 -13.394 1.00 22.20 H new ATOM 0 HE21 GLN A 40 -30.419 6.875 -12.312 1.00 42.35 H new ATOM 0 HE22 GLN A 40 -30.602 8.438 -13.114 1.00 42.35 H new ATOM 650 N TYR A 41 -28.681 1.350 -15.013 1.00 45.13 N ATOM 651 CA TYR A 41 -28.966 0.342 -16.027 1.00 71.14 C ATOM 652 C TYR A 41 -30.468 0.217 -16.265 1.00 42.32 C ATOM 653 O TYR A 41 -31.123 -0.675 -15.726 1.00 13.22 O ATOM 654 CB TYR A 41 -28.392 -1.012 -15.607 1.00 4.34 C ATOM 655 CG TYR A 41 -28.042 -1.910 -16.772 1.00 74.34 C ATOM 656 CD1 TYR A 41 -26.865 -1.728 -17.487 1.00 31.14 C ATOM 657 CD2 TYR A 41 -28.891 -2.941 -17.158 1.00 42.44 C ATOM 658 CE1 TYR A 41 -26.542 -2.547 -18.552 1.00 52.42 C ATOM 659 CE2 TYR A 41 -28.576 -3.764 -18.222 1.00 61.33 C ATOM 660 CZ TYR A 41 -27.401 -3.562 -18.917 1.00 32.24 C ATOM 661 OH TYR A 41 -27.083 -4.380 -19.977 1.00 11.12 O ATOM 0 H TYR A 41 -28.707 1.003 -14.054 1.00 45.13 H new ATOM 0 HA TYR A 41 -28.493 0.657 -16.957 1.00 71.14 H new ATOM 0 HB2 TYR A 41 -27.498 -0.847 -15.005 1.00 4.34 H new ATOM 0 HB3 TYR A 41 -29.115 -1.522 -14.971 1.00 4.34 H new ATOM 0 HD1 TYR A 41 -26.191 -0.933 -17.206 1.00 31.14 H new ATOM 0 HD2 TYR A 41 -29.812 -3.101 -16.617 1.00 42.44 H new ATOM 0 HE1 TYR A 41 -25.622 -2.393 -19.096 1.00 52.42 H new ATOM 0 HE2 TYR A 41 -29.246 -4.561 -18.508 1.00 61.33 H new ATOM 0 HH TYR A 41 -27.793 -5.044 -20.102 1.00 11.12 H new ATOM 671 N THR A 42 -31.009 1.121 -17.078 1.00 20.34 N ATOM 672 CA THR A 42 -32.433 1.114 -17.387 1.00 72.51 C ATOM 673 C THR A 42 -32.707 0.389 -18.700 1.00 11.03 C ATOM 674 O THR A 42 -32.797 1.013 -19.757 1.00 3.41 O ATOM 675 CB THR A 42 -32.995 2.546 -17.477 1.00 63.41 C ATOM 676 OG1 THR A 42 -32.375 3.378 -16.491 1.00 62.04 O ATOM 677 CG2 THR A 42 -34.503 2.548 -17.277 1.00 0.20 C ATOM 0 H THR A 42 -30.482 1.866 -17.533 1.00 20.34 H new ATOM 0 HA THR A 42 -32.931 0.587 -16.573 1.00 72.51 H new ATOM 0 HB THR A 42 -32.776 2.938 -18.470 1.00 63.41 H new ATOM 0 HG1 THR A 42 -32.736 4.287 -16.556 1.00 62.04 H new ATOM 0 HG21 THR A 42 -34.878 3.569 -17.345 1.00 0.20 H new ATOM 0 HG22 THR A 42 -34.973 1.937 -18.048 1.00 0.20 H new ATOM 0 HG23 THR A 42 -34.740 2.139 -16.295 1.00 0.20 H new ATOM 685 N GLU A 43 -32.839 -0.931 -18.625 1.00 22.50 N ATOM 686 CA GLU A 43 -33.102 -1.741 -19.809 1.00 73.22 C ATOM 687 C GLU A 43 -33.316 -3.204 -19.432 1.00 13.33 C ATOM 688 O GLU A 43 -32.476 -4.067 -19.689 1.00 14.35 O ATOM 689 CB GLU A 43 -31.945 -1.623 -20.803 1.00 41.01 C ATOM 690 CG GLU A 43 -32.359 -1.836 -22.249 1.00 13.41 C ATOM 691 CD GLU A 43 -33.399 -0.832 -22.711 1.00 23.23 C ATOM 692 OE1 GLU A 43 -33.305 0.346 -22.308 1.00 40.03 O ATOM 693 OE2 GLU A 43 -34.306 -1.226 -23.475 1.00 5.11 O ATOM 0 H GLU A 43 -32.768 -1.463 -17.757 1.00 22.50 H new ATOM 0 HA GLU A 43 -34.013 -1.368 -20.277 1.00 73.22 H new ATOM 0 HB2 GLU A 43 -31.493 -0.636 -20.705 1.00 41.01 H new ATOM 0 HB3 GLU A 43 -31.178 -2.352 -20.543 1.00 41.01 H new ATOM 0 HG2 GLU A 43 -31.480 -1.764 -22.889 1.00 13.41 H new ATOM 0 HG3 GLU A 43 -32.756 -2.845 -22.365 1.00 13.41 H new ATOM 700 N PRO A 44 -34.467 -3.491 -18.807 1.00 54.14 N ATOM 701 CA PRO A 44 -34.820 -4.849 -18.380 1.00 63.04 C ATOM 702 C PRO A 44 -35.117 -5.768 -19.560 1.00 42.11 C ATOM 703 O PRO A 44 -36.077 -5.554 -20.302 1.00 0.53 O ATOM 704 CB PRO A 44 -36.079 -4.639 -17.535 1.00 73.32 C ATOM 705 CG PRO A 44 -36.674 -3.374 -18.049 1.00 32.03 C ATOM 706 CD PRO A 44 -35.516 -2.513 -18.470 1.00 3.34 C ATOM 0 HA PRO A 44 -34.005 -5.332 -17.842 1.00 63.04 H new ATOM 0 HB2 PRO A 44 -36.771 -5.474 -17.642 1.00 73.32 H new ATOM 0 HB3 PRO A 44 -35.836 -4.560 -16.475 1.00 73.32 H new ATOM 0 HG2 PRO A 44 -37.341 -3.569 -18.889 1.00 32.03 H new ATOM 0 HG3 PRO A 44 -37.267 -2.881 -17.279 1.00 32.03 H new ATOM 0 HD2 PRO A 44 -35.771 -1.887 -19.325 1.00 3.34 H new ATOM 0 HD3 PRO A 44 -35.200 -1.845 -17.669 1.00 3.34 H new ATOM 714 N LEU A 45 -34.288 -6.793 -19.729 1.00 74.15 N ATOM 715 CA LEU A 45 -34.464 -7.746 -20.819 1.00 23.24 C ATOM 716 C LEU A 45 -35.283 -8.949 -20.364 1.00 62.44 C ATOM 717 O LEU A 45 -35.667 -9.047 -19.199 1.00 54.24 O ATOM 718 CB LEU A 45 -33.102 -8.210 -21.340 1.00 64.54 C ATOM 719 CG LEU A 45 -32.472 -7.345 -22.432 1.00 4.14 C ATOM 720 CD1 LEU A 45 -30.956 -7.475 -22.408 1.00 73.41 C ATOM 721 CD2 LEU A 45 -33.020 -7.727 -23.798 1.00 64.24 C ATOM 0 H LEU A 45 -33.488 -6.985 -19.126 1.00 74.15 H new ATOM 0 HA LEU A 45 -35.004 -7.246 -21.623 1.00 23.24 H new ATOM 0 HB2 LEU A 45 -32.411 -8.259 -20.499 1.00 64.54 H new ATOM 0 HB3 LEU A 45 -33.209 -9.225 -21.724 1.00 64.54 H new ATOM 0 HG LEU A 45 -32.730 -6.304 -22.238 1.00 4.14 H new ATOM 0 HD11 LEU A 45 -30.525 -6.852 -23.192 1.00 73.41 H new ATOM 0 HD12 LEU A 45 -30.578 -7.151 -21.438 1.00 73.41 H new ATOM 0 HD13 LEU A 45 -30.677 -8.515 -22.576 1.00 73.41 H new ATOM 0 HD21 LEU A 45 -32.560 -7.101 -24.563 1.00 64.24 H new ATOM 0 HD22 LEU A 45 -32.793 -8.774 -24.001 1.00 64.24 H new ATOM 0 HD23 LEU A 45 -34.100 -7.581 -23.811 1.00 64.24 H new ATOM 733 N MET A 46 -35.545 -9.865 -21.291 1.00 51.12 N ATOM 734 CA MET A 46 -36.317 -11.064 -20.984 1.00 20.14 C ATOM 735 C MET A 46 -35.780 -12.267 -21.753 1.00 62.31 C ATOM 736 O MET A 46 -35.000 -12.118 -22.693 1.00 55.30 O ATOM 737 CB MET A 46 -37.793 -10.846 -21.320 1.00 64.34 C ATOM 738 CG MET A 46 -38.047 -10.574 -22.794 1.00 41.31 C ATOM 739 SD MET A 46 -39.766 -10.851 -23.265 1.00 2.30 S ATOM 740 CE MET A 46 -39.616 -12.357 -24.222 1.00 24.22 C ATOM 0 H MET A 46 -35.234 -9.800 -22.260 1.00 51.12 H new ATOM 0 HA MET A 46 -36.221 -11.265 -19.917 1.00 20.14 H new ATOM 0 HB2 MET A 46 -38.360 -11.727 -21.019 1.00 64.34 H new ATOM 0 HB3 MET A 46 -38.171 -10.008 -20.734 1.00 64.34 H new ATOM 0 HG2 MET A 46 -37.773 -9.544 -23.022 1.00 41.31 H new ATOM 0 HG3 MET A 46 -37.402 -11.215 -23.394 1.00 41.31 H new ATOM 0 HE1 MET A 46 -40.599 -12.657 -24.584 1.00 24.22 H new ATOM 0 HE2 MET A 46 -38.954 -12.184 -25.071 1.00 24.22 H new ATOM 0 HE3 MET A 46 -39.203 -13.147 -23.595 1.00 24.22 H new ATOM 750 N ASN A 47 -36.203 -13.460 -21.346 1.00 23.31 N ATOM 751 CA ASN A 47 -35.764 -14.689 -21.997 1.00 62.52 C ATOM 752 C ASN A 47 -36.525 -15.895 -21.453 1.00 43.14 C ATOM 753 O ASN A 47 -37.395 -15.756 -20.594 1.00 41.24 O ATOM 754 CB ASN A 47 -34.260 -14.888 -21.795 1.00 31.01 C ATOM 755 CG ASN A 47 -33.926 -15.404 -20.409 1.00 3.11 C ATOM 756 OD1 ASN A 47 -33.130 -16.331 -20.254 1.00 33.30 O ATOM 757 ND2 ASN A 47 -34.535 -14.805 -19.392 1.00 43.24 N ATOM 0 H ASN A 47 -36.849 -13.601 -20.569 1.00 23.31 H new ATOM 0 HA ASN A 47 -35.973 -14.601 -23.063 1.00 62.52 H new ATOM 0 HB2 ASN A 47 -33.886 -15.589 -22.541 1.00 31.01 H new ATOM 0 HB3 ASN A 47 -33.746 -13.942 -21.961 1.00 31.01 H new ATOM 0 HD21 ASN A 47 -34.350 -15.109 -18.436 1.00 43.24 H new ATOM 0 HD22 ASN A 47 -35.187 -14.041 -19.567 1.00 43.24 H new ATOM 764 N TRP A 48 -36.190 -17.076 -21.960 1.00 53.13 N ATOM 765 CA TRP A 48 -36.842 -18.306 -21.525 1.00 50.31 C ATOM 766 C TRP A 48 -36.511 -18.612 -20.069 1.00 43.44 C ATOM 767 O TRP A 48 -37.404 -18.729 -19.229 1.00 42.32 O ATOM 768 CB TRP A 48 -36.416 -19.475 -22.414 1.00 71.34 C ATOM 769 CG TRP A 48 -37.185 -19.554 -23.699 1.00 34.33 C ATOM 770 CD1 TRP A 48 -37.687 -18.509 -24.420 1.00 32.31 C ATOM 771 CD2 TRP A 48 -37.539 -20.743 -24.413 1.00 74.51 C ATOM 772 NE1 TRP A 48 -38.334 -18.977 -25.539 1.00 2.44 N ATOM 773 CE2 TRP A 48 -38.256 -20.344 -25.559 1.00 31.25 C ATOM 774 CE3 TRP A 48 -37.320 -22.107 -24.198 1.00 31.13 C ATOM 775 CZ2 TRP A 48 -38.753 -21.260 -26.482 1.00 50.24 C ATOM 776 CZ3 TRP A 48 -37.814 -23.015 -25.115 1.00 50.34 C ATOM 777 CH2 TRP A 48 -38.523 -22.588 -26.246 1.00 55.31 C ATOM 0 H TRP A 48 -35.472 -17.208 -22.672 1.00 53.13 H new ATOM 0 HA TRP A 48 -37.920 -18.167 -21.611 1.00 50.31 H new ATOM 0 HB2 TRP A 48 -35.354 -19.383 -22.640 1.00 71.34 H new ATOM 0 HB3 TRP A 48 -36.545 -20.407 -21.864 1.00 71.34 H new ATOM 0 HD1 TRP A 48 -37.590 -17.468 -24.151 1.00 32.31 H new ATOM 0 HE1 TRP A 48 -38.797 -18.400 -26.241 1.00 2.44 H new ATOM 0 HE3 TRP A 48 -36.774 -22.445 -23.330 1.00 31.13 H new ATOM 0 HZ2 TRP A 48 -39.301 -20.934 -27.354 1.00 50.24 H new ATOM 0 HZ3 TRP A 48 -37.651 -24.071 -24.958 1.00 50.34 H new ATOM 0 HH2 TRP A 48 -38.895 -23.322 -26.945 1.00 55.31 H new ATOM 788 N THR A 49 -35.221 -18.740 -19.774 1.00 53.12 N ATOM 789 CA THR A 49 -34.772 -19.033 -18.420 1.00 20.05 C ATOM 790 C THR A 49 -34.743 -17.772 -17.564 1.00 61.31 C ATOM 791 O THR A 49 -33.681 -17.202 -17.317 1.00 53.25 O ATOM 792 CB THR A 49 -33.371 -19.674 -18.418 1.00 44.52 C ATOM 793 OG1 THR A 49 -32.476 -18.896 -19.223 1.00 34.05 O ATOM 794 CG2 THR A 49 -33.425 -21.099 -18.945 1.00 53.44 C ATOM 0 H THR A 49 -34.469 -18.645 -20.456 1.00 53.12 H new ATOM 0 HA THR A 49 -35.487 -19.739 -17.997 1.00 20.05 H new ATOM 0 HB THR A 49 -33.009 -19.698 -17.390 1.00 44.52 H new ATOM 0 HG1 THR A 49 -32.888 -18.031 -19.428 1.00 34.05 H new ATOM 0 HG21 THR A 49 -32.424 -21.529 -18.934 1.00 53.44 H new ATOM 0 HG22 THR A 49 -34.084 -21.696 -18.314 1.00 53.44 H new ATOM 0 HG23 THR A 49 -33.807 -21.095 -19.966 1.00 53.44 H new ATOM 802 N GLY A 50 -35.918 -17.341 -17.114 1.00 11.10 N ATOM 803 CA GLY A 50 -36.004 -16.149 -16.290 1.00 55.02 C ATOM 804 C GLY A 50 -37.351 -15.464 -16.401 1.00 52.43 C ATOM 805 O GLY A 50 -37.426 -14.268 -16.681 1.00 1.34 O ATOM 0 H GLY A 50 -36.811 -17.796 -17.305 1.00 11.10 H new ATOM 0 HA2 GLY A 50 -35.820 -16.416 -15.249 1.00 55.02 H new ATOM 0 HA3 GLY A 50 -35.220 -15.451 -16.583 1.00 55.02 H new ATOM 809 N SER A 51 -38.420 -16.225 -16.184 1.00 63.15 N ATOM 810 CA SER A 51 -39.772 -15.685 -16.268 1.00 14.23 C ATOM 811 C SER A 51 -40.077 -14.797 -15.064 1.00 74.15 C ATOM 812 O SER A 51 -40.875 -13.862 -15.155 1.00 2.04 O ATOM 813 CB SER A 51 -40.794 -16.821 -16.349 1.00 2.24 C ATOM 814 OG SER A 51 -40.512 -17.682 -17.438 1.00 32.24 O ATOM 0 H SER A 51 -38.376 -17.217 -15.949 1.00 63.15 H new ATOM 0 HA SER A 51 -39.840 -15.080 -17.172 1.00 14.23 H new ATOM 0 HB2 SER A 51 -40.785 -17.390 -15.419 1.00 2.24 H new ATOM 0 HB3 SER A 51 -41.796 -16.406 -16.459 1.00 2.24 H new ATOM 0 HG SER A 51 -41.178 -18.401 -17.468 1.00 32.24 H new ATOM 820 N HIS A 52 -39.437 -15.096 -13.939 1.00 4.43 N ATOM 821 CA HIS A 52 -39.639 -14.325 -12.717 1.00 5.43 C ATOM 822 C HIS A 52 -39.396 -12.839 -12.965 1.00 73.15 C ATOM 823 O HIS A 52 -38.836 -12.455 -13.992 1.00 12.22 O ATOM 824 CB HIS A 52 -38.707 -14.826 -11.613 1.00 73.20 C ATOM 825 CG HIS A 52 -39.229 -16.031 -10.891 1.00 24.14 C ATOM 826 ND1 HIS A 52 -39.543 -17.213 -11.529 1.00 44.40 N ATOM 827 CD2 HIS A 52 -39.490 -16.232 -9.578 1.00 25.54 C ATOM 828 CE1 HIS A 52 -39.975 -18.089 -10.639 1.00 51.01 C ATOM 829 NE2 HIS A 52 -39.953 -17.519 -9.448 1.00 44.33 N ATOM 0 H HIS A 52 -38.774 -15.866 -13.847 1.00 4.43 H new ATOM 0 HA HIS A 52 -40.673 -14.459 -12.400 1.00 5.43 H new ATOM 0 HB2 HIS A 52 -37.737 -15.065 -12.048 1.00 73.20 H new ATOM 0 HB3 HIS A 52 -38.544 -14.023 -10.894 1.00 73.20 H new ATOM 0 HD2 HIS A 52 -39.359 -15.515 -8.781 1.00 25.54 H new ATOM 0 HE1 HIS A 52 -40.292 -19.100 -10.850 1.00 51.01 H new ATOM 0 HE2 HIS A 52 -40.234 -17.962 -8.573 1.00 44.33 H new ATOM 837 N ASP A 53 -39.825 -12.009 -12.021 1.00 44.31 N ATOM 838 CA ASP A 53 -39.655 -10.565 -12.138 1.00 10.22 C ATOM 839 C ASP A 53 -38.188 -10.207 -12.358 1.00 50.14 C ATOM 840 O ASP A 53 -37.294 -10.806 -11.760 1.00 61.25 O ATOM 841 CB ASP A 53 -40.180 -9.865 -10.883 1.00 11.02 C ATOM 842 CG ASP A 53 -39.510 -10.365 -9.618 1.00 72.12 C ATOM 843 OD1 ASP A 53 -38.396 -9.892 -9.309 1.00 61.24 O ATOM 844 OD2 ASP A 53 -40.100 -11.228 -8.936 1.00 61.01 O ATOM 0 H ASP A 53 -40.293 -12.311 -11.166 1.00 44.31 H new ATOM 0 HA ASP A 53 -40.227 -10.225 -13.001 1.00 10.22 H new ATOM 0 HB2 ASP A 53 -40.019 -8.791 -10.976 1.00 11.02 H new ATOM 0 HB3 ASP A 53 -41.256 -10.021 -10.807 1.00 11.02 H new ATOM 849 N THR A 54 -37.949 -9.226 -13.224 1.00 2.24 N ATOM 850 CA THR A 54 -36.591 -8.788 -13.526 1.00 35.42 C ATOM 851 C THR A 54 -36.201 -7.583 -12.678 1.00 45.22 C ATOM 852 O THR A 54 -35.568 -6.647 -13.167 1.00 40.14 O ATOM 853 CB THR A 54 -36.436 -8.427 -15.015 1.00 20.34 C ATOM 854 OG1 THR A 54 -37.239 -9.300 -15.817 1.00 43.24 O ATOM 855 CG2 THR A 54 -34.981 -8.527 -15.448 1.00 31.10 C ATOM 0 H THR A 54 -38.677 -8.720 -13.728 1.00 2.24 H new ATOM 0 HA THR A 54 -35.930 -9.622 -13.292 1.00 35.42 H new ATOM 0 HB THR A 54 -36.769 -7.398 -15.153 1.00 20.34 H new ATOM 0 HG1 THR A 54 -37.136 -9.063 -16.762 1.00 43.24 H new ATOM 0 HG21 THR A 54 -34.897 -8.267 -16.503 1.00 31.10 H new ATOM 0 HG22 THR A 54 -34.377 -7.839 -14.856 1.00 31.10 H new ATOM 0 HG23 THR A 54 -34.625 -9.546 -15.295 1.00 31.10 H new ATOM 863 N LYS A 55 -36.579 -7.612 -11.405 1.00 71.44 N ATOM 864 CA LYS A 55 -36.266 -6.523 -10.488 1.00 74.50 C ATOM 865 C LYS A 55 -34.768 -6.242 -10.468 1.00 1.42 C ATOM 866 O LYS A 55 -33.983 -6.970 -11.076 1.00 12.24 O ATOM 867 CB LYS A 55 -36.752 -6.863 -9.077 1.00 71.02 C ATOM 868 CG LYS A 55 -35.999 -8.015 -8.436 1.00 24.44 C ATOM 869 CD LYS A 55 -36.393 -8.198 -6.979 1.00 72.05 C ATOM 870 CE LYS A 55 -35.712 -7.174 -6.085 1.00 72.45 C ATOM 871 NZ LYS A 55 -36.201 -7.253 -4.681 1.00 3.41 N ATOM 0 H LYS A 55 -37.103 -8.379 -10.984 1.00 71.44 H new ATOM 0 HA LYS A 55 -36.780 -5.627 -10.837 1.00 74.50 H new ATOM 0 HB2 LYS A 55 -36.654 -5.980 -8.445 1.00 71.02 H new ATOM 0 HB3 LYS A 55 -37.813 -7.111 -9.117 1.00 71.02 H new ATOM 0 HG2 LYS A 55 -36.201 -8.934 -8.986 1.00 24.44 H new ATOM 0 HG3 LYS A 55 -34.927 -7.832 -8.504 1.00 24.44 H new ATOM 0 HD2 LYS A 55 -37.475 -8.107 -6.879 1.00 72.05 H new ATOM 0 HD3 LYS A 55 -36.126 -9.203 -6.652 1.00 72.05 H new ATOM 0 HE2 LYS A 55 -34.634 -7.335 -6.104 1.00 72.45 H new ATOM 0 HE3 LYS A 55 -35.892 -6.173 -6.477 1.00 72.45 H new ATOM 0 HZ1 LYS A 55 -35.713 -6.539 -4.103 1.00 3.41 H new ATOM 0 HZ2 LYS A 55 -37.225 -7.075 -4.660 1.00 3.41 H new ATOM 0 HZ3 LYS A 55 -36.007 -8.200 -4.298 1.00 3.41 H new ATOM 885 N GLN A 56 -34.379 -5.183 -9.765 1.00 24.44 N ATOM 886 CA GLN A 56 -32.973 -4.808 -9.666 1.00 41.42 C ATOM 887 C GLN A 56 -32.205 -5.799 -8.800 1.00 4.35 C ATOM 888 O GLN A 56 -32.163 -5.666 -7.577 1.00 20.22 O ATOM 889 CB GLN A 56 -32.839 -3.397 -9.089 1.00 71.01 C ATOM 890 CG GLN A 56 -31.467 -2.780 -9.302 1.00 23.45 C ATOM 891 CD GLN A 56 -31.436 -1.299 -8.979 1.00 72.41 C ATOM 892 OE1 GLN A 56 -31.647 -0.457 -9.852 1.00 72.34 O ATOM 893 NE2 GLN A 56 -31.172 -0.973 -7.719 1.00 71.12 N ATOM 0 H GLN A 56 -35.016 -4.570 -9.256 1.00 24.44 H new ATOM 0 HA GLN A 56 -32.547 -4.825 -10.669 1.00 41.42 H new ATOM 0 HB2 GLN A 56 -33.592 -2.754 -9.545 1.00 71.01 H new ATOM 0 HB3 GLN A 56 -33.052 -3.429 -8.020 1.00 71.01 H new ATOM 0 HG2 GLN A 56 -30.739 -3.299 -8.679 1.00 23.45 H new ATOM 0 HG3 GLN A 56 -31.163 -2.928 -10.338 1.00 23.45 H new ATOM 0 HE21 GLN A 56 -31.003 -1.704 -7.028 1.00 71.12 H new ATOM 0 HE22 GLN A 56 -31.138 0.008 -7.442 1.00 71.12 H new ATOM 902 N GLN A 57 -31.598 -6.793 -9.442 1.00 5.14 N ATOM 903 CA GLN A 57 -30.831 -7.807 -8.728 1.00 35.32 C ATOM 904 C GLN A 57 -29.334 -7.605 -8.936 1.00 4.33 C ATOM 905 O GLN A 57 -28.912 -6.934 -9.878 1.00 74.41 O ATOM 906 CB GLN A 57 -31.238 -9.206 -9.195 1.00 40.32 C ATOM 907 CG GLN A 57 -32.477 -9.744 -8.497 1.00 60.03 C ATOM 908 CD GLN A 57 -33.260 -10.711 -9.362 1.00 34.30 C ATOM 909 OE1 GLN A 57 -34.241 -10.334 -10.004 1.00 53.04 O ATOM 910 NE2 GLN A 57 -32.831 -11.967 -9.385 1.00 60.10 N ATOM 0 H GLN A 57 -31.623 -6.917 -10.454 1.00 5.14 H new ATOM 0 HA GLN A 57 -31.048 -7.708 -7.664 1.00 35.32 H new ATOM 0 HB2 GLN A 57 -31.418 -9.183 -10.270 1.00 40.32 H new ATOM 0 HB3 GLN A 57 -30.408 -9.892 -9.025 1.00 40.32 H new ATOM 0 HG2 GLN A 57 -32.181 -10.245 -7.575 1.00 60.03 H new ATOM 0 HG3 GLN A 57 -33.121 -8.911 -8.215 1.00 60.03 H new ATOM 0 HE21 GLN A 57 -32.014 -12.237 -8.838 1.00 60.10 H new ATOM 0 HE22 GLN A 57 -33.319 -12.662 -9.950 1.00 60.10 H new ATOM 919 N VAL A 58 -28.534 -8.188 -8.048 1.00 55.31 N ATOM 920 CA VAL A 58 -27.083 -8.072 -8.134 1.00 73.14 C ATOM 921 C VAL A 58 -26.442 -9.420 -8.444 1.00 42.23 C ATOM 922 O VAL A 58 -25.381 -9.486 -9.067 1.00 51.14 O ATOM 923 CB VAL A 58 -26.486 -7.519 -6.826 1.00 24.40 C ATOM 924 CG1 VAL A 58 -26.780 -6.034 -6.691 1.00 12.30 C ATOM 925 CG2 VAL A 58 -27.022 -8.289 -5.629 1.00 53.21 C ATOM 0 H VAL A 58 -28.867 -8.745 -7.261 1.00 55.31 H new ATOM 0 HA VAL A 58 -26.868 -7.376 -8.945 1.00 73.14 H new ATOM 0 HB VAL A 58 -25.404 -7.649 -6.857 1.00 24.40 H new ATOM 0 HG11 VAL A 58 -26.351 -5.661 -5.761 1.00 12.30 H new ATOM 0 HG12 VAL A 58 -26.342 -5.498 -7.533 1.00 12.30 H new ATOM 0 HG13 VAL A 58 -27.858 -5.876 -6.682 1.00 12.30 H new ATOM 0 HG21 VAL A 58 -26.590 -7.885 -4.713 1.00 53.21 H new ATOM 0 HG22 VAL A 58 -28.107 -8.193 -5.591 1.00 53.21 H new ATOM 0 HG23 VAL A 58 -26.754 -9.341 -5.723 1.00 53.21 H new ATOM 935 N CYS A 59 -27.090 -10.492 -8.005 1.00 74.24 N ATOM 936 CA CYS A 59 -26.584 -11.841 -8.235 1.00 40.42 C ATOM 937 C CYS A 59 -27.116 -12.405 -9.548 1.00 73.32 C ATOM 938 O CYS A 59 -28.317 -12.356 -9.816 1.00 72.00 O ATOM 939 CB CYS A 59 -26.973 -12.758 -7.076 1.00 25.41 C ATOM 940 SG CYS A 59 -26.280 -12.267 -5.480 1.00 4.42 S ATOM 0 H CYS A 59 -27.968 -10.454 -7.487 1.00 74.24 H new ATOM 0 HA CYS A 59 -25.497 -11.789 -8.298 1.00 40.42 H new ATOM 0 HB2 CYS A 59 -28.060 -12.783 -6.996 1.00 25.41 H new ATOM 0 HB3 CYS A 59 -26.647 -13.773 -7.305 1.00 25.41 H new ATOM 0 HG CYS A 59 -25.224 -11.534 -5.673 1.00 4.42 H new ATOM 946 N LEU A 60 -26.215 -12.940 -10.365 1.00 14.21 N ATOM 947 CA LEU A 60 -26.594 -13.513 -11.652 1.00 23.02 C ATOM 948 C LEU A 60 -26.396 -15.025 -11.653 1.00 62.24 C ATOM 949 O LEU A 60 -25.479 -15.542 -11.015 1.00 51.32 O ATOM 950 CB LEU A 60 -25.773 -12.878 -12.776 1.00 71.04 C ATOM 951 CG LEU A 60 -26.418 -11.689 -13.489 1.00 35.53 C ATOM 952 CD1 LEU A 60 -25.477 -11.121 -14.539 1.00 65.40 C ATOM 953 CD2 LEU A 60 -27.740 -12.100 -14.122 1.00 24.31 C ATOM 0 H LEU A 60 -25.217 -12.989 -10.159 1.00 14.21 H new ATOM 0 HA LEU A 60 -27.650 -13.303 -11.819 1.00 23.02 H new ATOM 0 HB2 LEU A 60 -24.818 -12.554 -12.363 1.00 71.04 H new ATOM 0 HB3 LEU A 60 -25.555 -13.646 -13.518 1.00 71.04 H new ATOM 0 HG LEU A 60 -26.617 -10.912 -12.751 1.00 35.53 H new ATOM 0 HD11 LEU A 60 -25.954 -10.276 -15.036 1.00 65.40 H new ATOM 0 HD12 LEU A 60 -24.556 -10.788 -14.060 1.00 65.40 H new ATOM 0 HD13 LEU A 60 -25.246 -11.891 -15.275 1.00 65.40 H new ATOM 0 HD21 LEU A 60 -28.185 -11.241 -14.625 1.00 24.31 H new ATOM 0 HD22 LEU A 60 -27.565 -12.895 -14.847 1.00 24.31 H new ATOM 0 HD23 LEU A 60 -28.418 -12.459 -13.348 1.00 24.31 H new ATOM 965 N SER A 61 -27.261 -15.729 -12.377 1.00 65.11 N ATOM 966 CA SER A 61 -27.181 -17.183 -12.462 1.00 75.21 C ATOM 967 C SER A 61 -27.138 -17.641 -13.916 1.00 51.23 C ATOM 968 O SER A 61 -28.040 -17.344 -14.700 1.00 35.44 O ATOM 969 CB SER A 61 -28.375 -17.821 -11.749 1.00 31.41 C ATOM 970 OG SER A 61 -28.681 -17.133 -10.548 1.00 63.15 O ATOM 0 H SER A 61 -28.025 -15.316 -12.913 1.00 65.11 H new ATOM 0 HA SER A 61 -26.261 -17.502 -11.973 1.00 75.21 H new ATOM 0 HB2 SER A 61 -29.243 -17.812 -12.408 1.00 31.41 H new ATOM 0 HB3 SER A 61 -28.154 -18.865 -11.527 1.00 31.41 H new ATOM 0 HG SER A 61 -29.449 -17.560 -10.113 1.00 63.15 H new ATOM 976 N PHE A 62 -26.083 -18.367 -14.271 1.00 11.45 N ATOM 977 CA PHE A 62 -25.920 -18.866 -15.630 1.00 65.33 C ATOM 978 C PHE A 62 -25.916 -20.392 -15.652 1.00 63.43 C ATOM 979 O PHE A 62 -25.388 -21.037 -14.746 1.00 1.02 O ATOM 980 CB PHE A 62 -24.621 -18.333 -16.240 1.00 52.23 C ATOM 981 CG PHE A 62 -24.646 -16.855 -16.502 1.00 3.43 C ATOM 982 CD1 PHE A 62 -25.252 -16.349 -17.640 1.00 70.04 C ATOM 983 CD2 PHE A 62 -24.062 -15.970 -15.610 1.00 42.11 C ATOM 984 CE1 PHE A 62 -25.274 -14.989 -17.885 1.00 13.50 C ATOM 985 CE2 PHE A 62 -24.081 -14.608 -15.848 1.00 74.04 C ATOM 986 CZ PHE A 62 -24.690 -14.117 -16.987 1.00 41.11 C ATOM 0 H PHE A 62 -25.328 -18.623 -13.635 1.00 11.45 H new ATOM 0 HA PHE A 62 -26.764 -18.513 -16.223 1.00 65.33 H new ATOM 0 HB2 PHE A 62 -23.793 -18.561 -15.569 1.00 52.23 H new ATOM 0 HB3 PHE A 62 -24.426 -18.857 -17.176 1.00 52.23 H new ATOM 0 HD1 PHE A 62 -25.713 -17.025 -18.345 1.00 70.04 H new ATOM 0 HD2 PHE A 62 -23.586 -16.349 -14.718 1.00 42.11 H new ATOM 0 HE1 PHE A 62 -25.747 -14.608 -18.778 1.00 13.50 H new ATOM 0 HE2 PHE A 62 -23.621 -13.929 -15.145 1.00 74.04 H new ATOM 0 HZ PHE A 62 -24.709 -13.054 -17.175 1.00 41.11 H new ATOM 996 N THR A 63 -26.510 -20.964 -16.696 1.00 14.44 N ATOM 997 CA THR A 63 -26.578 -22.413 -16.837 1.00 11.54 C ATOM 998 C THR A 63 -25.197 -23.006 -17.095 1.00 12.21 C ATOM 999 O THR A 63 -24.781 -23.952 -16.426 1.00 1.11 O ATOM 1000 CB THR A 63 -27.522 -22.822 -17.982 1.00 60.44 C ATOM 1001 OG1 THR A 63 -28.723 -22.045 -17.929 1.00 74.25 O ATOM 1002 CG2 THR A 63 -27.866 -24.302 -17.898 1.00 41.20 C ATOM 0 H THR A 63 -26.951 -20.445 -17.456 1.00 14.44 H new ATOM 0 HA THR A 63 -26.968 -22.804 -15.897 1.00 11.54 H new ATOM 0 HB THR A 63 -27.011 -22.637 -18.927 1.00 60.44 H new ATOM 0 HG1 THR A 63 -29.317 -22.310 -18.662 1.00 74.25 H new ATOM 0 HG21 THR A 63 -28.534 -24.567 -18.717 1.00 41.20 H new ATOM 0 HG22 THR A 63 -26.953 -24.892 -17.969 1.00 41.20 H new ATOM 0 HG23 THR A 63 -28.358 -24.508 -16.947 1.00 41.20 H new ATOM 1010 N THR A 64 -24.490 -22.442 -18.070 1.00 33.40 N ATOM 1011 CA THR A 64 -23.156 -22.916 -18.417 1.00 45.14 C ATOM 1012 C THR A 64 -22.101 -21.859 -18.110 1.00 42.01 C ATOM 1013 O THR A 64 -22.418 -20.682 -17.943 1.00 15.23 O ATOM 1014 CB THR A 64 -23.065 -23.298 -19.906 1.00 10.00 C ATOM 1015 OG1 THR A 64 -23.991 -22.517 -20.670 1.00 75.42 O ATOM 1016 CG2 THR A 64 -23.358 -24.778 -20.104 1.00 40.04 C ATOM 0 H THR A 64 -24.819 -21.657 -18.633 1.00 33.40 H new ATOM 0 HA THR A 64 -22.967 -23.802 -17.810 1.00 45.14 H new ATOM 0 HB THR A 64 -22.050 -23.096 -20.249 1.00 10.00 H new ATOM 0 HG1 THR A 64 -23.926 -22.765 -21.616 1.00 75.42 H new ATOM 0 HG21 THR A 64 -23.288 -25.024 -21.164 1.00 40.04 H new ATOM 0 HG22 THR A 64 -22.634 -25.370 -19.545 1.00 40.04 H new ATOM 0 HG23 THR A 64 -24.363 -25.001 -19.745 1.00 40.04 H new ATOM 1024 N ARG A 65 -20.845 -22.288 -18.038 1.00 62.04 N ATOM 1025 CA ARG A 65 -19.743 -21.377 -17.751 1.00 4.05 C ATOM 1026 C ARG A 65 -19.547 -20.384 -18.893 1.00 2.54 C ATOM 1027 O ARG A 65 -19.411 -19.181 -18.664 1.00 74.51 O ATOM 1028 CB ARG A 65 -18.451 -22.163 -17.517 1.00 23.40 C ATOM 1029 CG ARG A 65 -18.093 -23.100 -18.661 1.00 50.32 C ATOM 1030 CD ARG A 65 -17.430 -24.370 -18.153 1.00 74.22 C ATOM 1031 NE ARG A 65 -17.807 -25.538 -18.946 1.00 24.31 N ATOM 1032 CZ ARG A 65 -17.291 -26.748 -18.762 1.00 54.10 C ATOM 1033 NH1 ARG A 65 -16.384 -26.949 -17.816 1.00 1.10 N ATOM 1034 NH2 ARG A 65 -17.684 -27.761 -19.524 1.00 11.20 N ATOM 0 H ARG A 65 -20.565 -23.259 -18.174 1.00 62.04 H new ATOM 0 HA ARG A 65 -19.991 -20.821 -16.847 1.00 4.05 H new ATOM 0 HB2 ARG A 65 -17.631 -21.461 -17.363 1.00 23.40 H new ATOM 0 HB3 ARG A 65 -18.550 -22.744 -16.600 1.00 23.40 H new ATOM 0 HG2 ARG A 65 -18.994 -23.356 -19.218 1.00 50.32 H new ATOM 0 HG3 ARG A 65 -17.423 -22.591 -19.354 1.00 50.32 H new ATOM 0 HD2 ARG A 65 -16.347 -24.249 -18.178 1.00 74.22 H new ATOM 0 HD3 ARG A 65 -17.709 -24.533 -17.112 1.00 74.22 H new ATOM 0 HE ARG A 65 -18.504 -25.418 -19.681 1.00 24.31 H new ATOM 0 HH11 ARG A 65 -16.081 -26.173 -17.227 1.00 1.10 H new ATOM 0 HH12 ARG A 65 -15.990 -27.879 -17.677 1.00 1.10 H new ATOM 0 HH21 ARG A 65 -18.383 -27.611 -20.252 1.00 11.20 H new ATOM 0 HH22 ARG A 65 -17.287 -28.690 -19.382 1.00 11.20 H new ATOM 1048 N GLU A 66 -19.532 -20.895 -20.119 1.00 44.30 N ATOM 1049 CA GLU A 66 -19.350 -20.052 -21.295 1.00 41.43 C ATOM 1050 C GLU A 66 -20.336 -18.886 -21.286 1.00 20.13 C ATOM 1051 O GLU A 66 -20.043 -17.808 -21.802 1.00 50.53 O ATOM 1052 CB GLU A 66 -19.528 -20.874 -22.573 1.00 10.00 C ATOM 1053 CG GLU A 66 -18.363 -21.806 -22.863 1.00 44.32 C ATOM 1054 CD GLU A 66 -18.264 -22.175 -24.331 1.00 20.34 C ATOM 1055 OE1 GLU A 66 -18.961 -23.123 -24.751 1.00 24.33 O ATOM 1056 OE2 GLU A 66 -17.490 -21.519 -25.058 1.00 52.42 O ATOM 0 H GLU A 66 -19.644 -21.888 -20.324 1.00 44.30 H new ATOM 0 HA GLU A 66 -18.337 -19.650 -21.269 1.00 41.43 H new ATOM 0 HB2 GLU A 66 -20.442 -21.462 -22.492 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -19.659 -20.196 -23.416 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -17.434 -21.330 -22.548 1.00 44.32 H new ATOM 0 HG3 GLU A 66 -18.473 -22.714 -22.270 1.00 44.32 H new ATOM 1063 N LEU A 67 -21.504 -19.113 -20.697 1.00 13.34 N ATOM 1064 CA LEU A 67 -22.535 -18.083 -20.620 1.00 41.32 C ATOM 1065 C LEU A 67 -22.110 -16.956 -19.686 1.00 41.41 C ATOM 1066 O LEU A 67 -22.360 -15.782 -19.958 1.00 63.32 O ATOM 1067 CB LEU A 67 -23.854 -18.689 -20.139 1.00 71.25 C ATOM 1068 CG LEU A 67 -24.837 -19.112 -21.233 1.00 3.03 C ATOM 1069 CD1 LEU A 67 -26.044 -19.809 -20.625 1.00 72.10 C ATOM 1070 CD2 LEU A 67 -25.271 -17.907 -22.054 1.00 41.51 C ATOM 0 H LEU A 67 -21.762 -20.001 -20.266 1.00 13.34 H new ATOM 0 HA LEU A 67 -22.675 -17.669 -21.619 1.00 41.32 H new ATOM 0 HB2 LEU A 67 -23.628 -19.561 -19.525 1.00 71.25 H new ATOM 0 HB3 LEU A 67 -24.350 -17.964 -19.493 1.00 71.25 H new ATOM 0 HG LEU A 67 -24.333 -19.816 -21.896 1.00 3.03 H new ATOM 0 HD11 LEU A 67 -26.732 -20.103 -21.418 1.00 72.10 H new ATOM 0 HD12 LEU A 67 -25.717 -20.695 -20.082 1.00 72.10 H new ATOM 0 HD13 LEU A 67 -26.549 -19.129 -19.939 1.00 72.10 H new ATOM 0 HD21 LEU A 67 -25.970 -18.226 -22.827 1.00 41.51 H new ATOM 0 HD22 LEU A 67 -25.757 -17.180 -21.404 1.00 41.51 H new ATOM 0 HD23 LEU A 67 -24.398 -17.451 -22.520 1.00 41.51 H new ATOM 1082 N ALA A 68 -21.464 -17.320 -18.583 1.00 3.13 N ATOM 1083 CA ALA A 68 -20.999 -16.338 -17.610 1.00 34.13 C ATOM 1084 C ALA A 68 -19.871 -15.489 -18.183 1.00 40.44 C ATOM 1085 O ALA A 68 -20.000 -14.270 -18.305 1.00 54.13 O ATOM 1086 CB ALA A 68 -20.544 -17.034 -16.335 1.00 72.32 C ATOM 0 H ALA A 68 -21.251 -18.288 -18.341 1.00 3.13 H new ATOM 0 HA ALA A 68 -21.831 -15.676 -17.372 1.00 34.13 H new ATOM 0 HB1 ALA A 68 -20.199 -16.290 -15.617 1.00 72.32 H new ATOM 0 HB2 ALA A 68 -21.377 -17.592 -15.908 1.00 72.32 H new ATOM 0 HB3 ALA A 68 -19.729 -17.720 -16.566 1.00 72.32 H new ATOM 1092 N ILE A 69 -18.766 -16.138 -18.532 1.00 3.25 N ATOM 1093 CA ILE A 69 -17.615 -15.440 -19.092 1.00 75.24 C ATOM 1094 C ILE A 69 -18.017 -14.597 -20.297 1.00 50.21 C ATOM 1095 O ILE A 69 -17.460 -13.524 -20.530 1.00 63.24 O ATOM 1096 CB ILE A 69 -16.511 -16.426 -19.516 1.00 21.55 C ATOM 1097 CG1 ILE A 69 -16.047 -17.253 -18.314 1.00 51.34 C ATOM 1098 CG2 ILE A 69 -15.340 -15.676 -20.133 1.00 22.11 C ATOM 1099 CD1 ILE A 69 -16.580 -18.668 -18.313 1.00 63.21 C ATOM 0 H ILE A 69 -18.643 -17.146 -18.437 1.00 3.25 H new ATOM 0 HA ILE A 69 -17.228 -14.789 -18.308 1.00 75.24 H new ATOM 0 HB ILE A 69 -16.918 -17.105 -20.265 1.00 21.55 H new ATOM 0 HG12 ILE A 69 -14.957 -17.284 -18.303 1.00 51.34 H new ATOM 0 HG13 ILE A 69 -16.361 -16.754 -17.397 1.00 51.34 H new ATOM 0 HG21 ILE A 69 -14.568 -16.386 -20.428 1.00 22.11 H new ATOM 0 HG22 ILE A 69 -15.681 -15.127 -21.010 1.00 22.11 H new ATOM 0 HG23 ILE A 69 -14.931 -14.977 -19.404 1.00 22.11 H new ATOM 0 HD11 ILE A 69 -16.211 -19.195 -17.433 1.00 63.21 H new ATOM 0 HD12 ILE A 69 -17.670 -18.646 -18.293 1.00 63.21 H new ATOM 0 HD13 ILE A 69 -16.244 -19.184 -19.213 1.00 63.21 H new ATOM 1111 N ALA A 70 -18.990 -15.088 -21.059 1.00 2.21 N ATOM 1112 CA ALA A 70 -19.469 -14.377 -22.237 1.00 71.42 C ATOM 1113 C ALA A 70 -19.970 -12.985 -21.873 1.00 13.42 C ATOM 1114 O ALA A 70 -20.001 -12.085 -22.714 1.00 74.24 O ATOM 1115 CB ALA A 70 -20.570 -15.175 -22.922 1.00 50.22 C ATOM 0 H ALA A 70 -19.461 -15.975 -20.881 1.00 2.21 H new ATOM 0 HA ALA A 70 -18.633 -14.263 -22.928 1.00 71.42 H new ATOM 0 HB1 ALA A 70 -20.919 -14.633 -23.801 1.00 50.22 H new ATOM 0 HB2 ALA A 70 -20.180 -16.146 -23.226 1.00 50.22 H new ATOM 0 HB3 ALA A 70 -21.400 -15.318 -22.230 1.00 50.22 H new ATOM 1121 N TYR A 71 -20.363 -12.812 -20.616 1.00 5.42 N ATOM 1122 CA TYR A 71 -20.866 -11.529 -20.141 1.00 42.42 C ATOM 1123 C TYR A 71 -19.717 -10.589 -19.790 1.00 4.22 C ATOM 1124 O TYR A 71 -19.727 -9.414 -20.154 1.00 62.02 O ATOM 1125 CB TYR A 71 -21.765 -11.729 -18.921 1.00 35.22 C ATOM 1126 CG TYR A 71 -22.496 -10.476 -18.494 1.00 13.32 C ATOM 1127 CD1 TYR A 71 -23.222 -9.725 -19.409 1.00 72.34 C ATOM 1128 CD2 TYR A 71 -22.461 -10.043 -17.174 1.00 22.42 C ATOM 1129 CE1 TYR A 71 -23.890 -8.579 -19.024 1.00 61.22 C ATOM 1130 CE2 TYR A 71 -23.126 -8.900 -16.779 1.00 52.53 C ATOM 1131 CZ TYR A 71 -23.839 -8.171 -17.707 1.00 74.24 C ATOM 1132 OH TYR A 71 -24.505 -7.030 -17.319 1.00 22.12 O ATOM 0 H TYR A 71 -20.343 -13.545 -19.907 1.00 5.42 H new ATOM 0 HA TYR A 71 -21.449 -11.078 -20.944 1.00 42.42 H new ATOM 0 HB2 TYR A 71 -22.495 -12.508 -19.142 1.00 35.22 H new ATOM 0 HB3 TYR A 71 -21.159 -12.087 -18.089 1.00 35.22 H new ATOM 0 HD1 TYR A 71 -23.265 -10.043 -20.440 1.00 72.34 H new ATOM 0 HD2 TYR A 71 -21.903 -10.611 -16.444 1.00 22.42 H new ATOM 0 HE1 TYR A 71 -24.449 -8.006 -19.749 1.00 61.22 H new ATOM 0 HE2 TYR A 71 -23.088 -8.578 -15.749 1.00 52.53 H new ATOM 0 HH TYR A 71 -24.370 -6.882 -16.360 1.00 22.12 H new ATOM 1142 N ALA A 72 -18.725 -11.117 -19.080 1.00 32.14 N ATOM 1143 CA ALA A 72 -17.566 -10.329 -18.681 1.00 43.01 C ATOM 1144 C ALA A 72 -16.726 -9.936 -19.892 1.00 12.40 C ATOM 1145 O ALA A 72 -16.457 -8.756 -20.117 1.00 52.02 O ATOM 1146 CB ALA A 72 -16.721 -11.100 -17.679 1.00 35.33 C ATOM 0 H ALA A 72 -18.701 -12.088 -18.769 1.00 32.14 H new ATOM 0 HA ALA A 72 -17.926 -9.415 -18.208 1.00 43.01 H new ATOM 0 HB1 ALA A 72 -15.859 -10.498 -17.391 1.00 35.33 H new ATOM 0 HB2 ALA A 72 -17.319 -11.325 -16.796 1.00 35.33 H new ATOM 0 HB3 ALA A 72 -16.379 -12.031 -18.132 1.00 35.33 H new ATOM 1152 N VAL A 73 -16.314 -10.933 -20.668 1.00 22.12 N ATOM 1153 CA VAL A 73 -15.504 -10.692 -21.856 1.00 40.33 C ATOM 1154 C VAL A 73 -16.145 -9.639 -22.754 1.00 31.54 C ATOM 1155 O VAL A 73 -15.454 -8.903 -23.457 1.00 13.24 O ATOM 1156 CB VAL A 73 -15.297 -11.985 -22.667 1.00 52.14 C ATOM 1157 CG1 VAL A 73 -14.483 -11.705 -23.921 1.00 43.11 C ATOM 1158 CG2 VAL A 73 -14.627 -13.048 -21.811 1.00 63.21 C ATOM 0 H VAL A 73 -16.528 -11.915 -20.495 1.00 22.12 H new ATOM 0 HA VAL A 73 -14.536 -10.330 -21.510 1.00 40.33 H new ATOM 0 HB VAL A 73 -16.273 -12.361 -22.974 1.00 52.14 H new ATOM 0 HG11 VAL A 73 -14.347 -12.630 -24.481 1.00 43.11 H new ATOM 0 HG12 VAL A 73 -15.009 -10.979 -24.542 1.00 43.11 H new ATOM 0 HG13 VAL A 73 -13.509 -11.304 -23.641 1.00 43.11 H new ATOM 0 HG21 VAL A 73 -14.488 -13.955 -22.400 1.00 63.21 H new ATOM 0 HG22 VAL A 73 -13.657 -12.684 -21.472 1.00 63.21 H new ATOM 0 HG23 VAL A 73 -15.254 -13.268 -20.947 1.00 63.21 H new ATOM 1168 N ALA A 74 -17.473 -9.574 -22.724 1.00 62.03 N ATOM 1169 CA ALA A 74 -18.207 -8.609 -23.533 1.00 74.24 C ATOM 1170 C ALA A 74 -17.707 -7.190 -23.287 1.00 21.04 C ATOM 1171 O ALA A 74 -17.782 -6.333 -24.167 1.00 75.05 O ATOM 1172 CB ALA A 74 -19.698 -8.703 -23.241 1.00 74.32 C ATOM 0 H ALA A 74 -18.061 -10.177 -22.149 1.00 62.03 H new ATOM 0 HA ALA A 74 -18.036 -8.848 -24.583 1.00 74.24 H new ATOM 0 HB1 ALA A 74 -20.235 -7.977 -23.852 1.00 74.32 H new ATOM 0 HB2 ALA A 74 -20.052 -9.707 -23.475 1.00 74.32 H new ATOM 0 HB3 ALA A 74 -19.876 -8.492 -22.186 1.00 74.32 H new ATOM 1178 N HIS A 75 -17.197 -6.949 -22.083 1.00 3.20 N ATOM 1179 CA HIS A 75 -16.683 -5.633 -21.721 1.00 52.41 C ATOM 1180 C HIS A 75 -15.257 -5.734 -21.188 1.00 40.32 C ATOM 1181 O HIS A 75 -14.805 -4.879 -20.426 1.00 51.40 O ATOM 1182 CB HIS A 75 -17.586 -4.980 -20.674 1.00 11.32 C ATOM 1183 CG HIS A 75 -18.743 -4.234 -21.262 1.00 73.43 C ATOM 1184 ND1 HIS A 75 -20.003 -4.234 -20.702 1.00 34.53 N ATOM 1185 CD2 HIS A 75 -18.826 -3.459 -22.368 1.00 41.23 C ATOM 1186 CE1 HIS A 75 -20.812 -3.494 -21.438 1.00 44.01 C ATOM 1187 NE2 HIS A 75 -20.121 -3.010 -22.456 1.00 32.41 N ATOM 0 H HIS A 75 -17.129 -7.647 -21.342 1.00 3.20 H new ATOM 0 HA HIS A 75 -16.673 -5.015 -22.619 1.00 52.41 H new ATOM 0 HB2 HIS A 75 -17.965 -5.750 -20.002 1.00 11.32 H new ATOM 0 HB3 HIS A 75 -16.991 -4.294 -20.070 1.00 11.32 H new ATOM 0 HD2 HIS A 75 -18.023 -3.235 -23.054 1.00 41.23 H new ATOM 0 HE1 HIS A 75 -21.859 -3.315 -21.242 1.00 44.01 H new ATOM 0 HE2 HIS A 75 -20.490 -2.402 -23.188 1.00 32.41 H new ATOM 1195 N LYS A 76 -14.553 -6.785 -21.592 1.00 24.34 N ATOM 1196 CA LYS A 76 -13.178 -6.999 -21.156 1.00 64.13 C ATOM 1197 C LYS A 76 -13.071 -6.926 -19.637 1.00 11.01 C ATOM 1198 O LYS A 76 -12.159 -6.297 -19.099 1.00 14.32 O ATOM 1199 CB LYS A 76 -12.251 -5.960 -21.794 1.00 12.34 C ATOM 1200 CG LYS A 76 -10.833 -6.459 -22.007 1.00 42.44 C ATOM 1201 CD LYS A 76 -10.743 -7.389 -23.205 1.00 61.35 C ATOM 1202 CE LYS A 76 -10.693 -6.611 -24.511 1.00 62.41 C ATOM 1203 NZ LYS A 76 -9.348 -6.022 -24.755 1.00 31.30 N ATOM 0 H LYS A 76 -14.912 -7.503 -22.221 1.00 24.34 H new ATOM 0 HA LYS A 76 -12.873 -7.995 -21.476 1.00 64.13 H new ATOM 0 HB2 LYS A 76 -12.668 -5.655 -22.754 1.00 12.34 H new ATOM 0 HB3 LYS A 76 -12.224 -5.073 -21.161 1.00 12.34 H new ATOM 0 HG2 LYS A 76 -10.166 -5.610 -22.154 1.00 42.44 H new ATOM 0 HG3 LYS A 76 -10.492 -6.982 -21.113 1.00 42.44 H new ATOM 0 HD2 LYS A 76 -9.853 -8.012 -23.117 1.00 61.35 H new ATOM 0 HD3 LYS A 76 -11.602 -8.059 -23.212 1.00 61.35 H new ATOM 0 HE2 LYS A 76 -10.955 -7.272 -25.337 1.00 62.41 H new ATOM 0 HE3 LYS A 76 -11.439 -5.816 -24.489 1.00 62.41 H new ATOM 0 HZ1 LYS A 76 -9.326 -5.587 -25.700 1.00 31.30 H new ATOM 0 HZ2 LYS A 76 -9.151 -5.297 -24.036 1.00 31.30 H new ATOM 0 HZ3 LYS A 76 -8.627 -6.769 -24.701 1.00 31.30 H new ATOM 1217 N ILE A 77 -14.006 -7.576 -18.951 1.00 44.52 N ATOM 1218 CA ILE A 77 -14.014 -7.587 -17.493 1.00 42.22 C ATOM 1219 C ILE A 77 -13.256 -8.792 -16.948 1.00 3.40 C ATOM 1220 O ILE A 77 -13.329 -9.888 -17.505 1.00 4.33 O ATOM 1221 CB ILE A 77 -15.451 -7.604 -16.940 1.00 12.44 C ATOM 1222 CG1 ILE A 77 -16.228 -6.384 -17.437 1.00 51.44 C ATOM 1223 CG2 ILE A 77 -15.430 -7.643 -15.418 1.00 54.42 C ATOM 1224 CD1 ILE A 77 -17.707 -6.439 -17.122 1.00 3.10 C ATOM 0 H ILE A 77 -14.767 -8.101 -19.381 1.00 44.52 H new ATOM 0 HA ILE A 77 -13.518 -6.673 -17.167 1.00 42.22 H new ATOM 0 HB ILE A 77 -15.954 -8.501 -17.301 1.00 12.44 H new ATOM 0 HG12 ILE A 77 -15.803 -5.486 -16.989 1.00 51.44 H new ATOM 0 HG13 ILE A 77 -16.098 -6.295 -18.516 1.00 51.44 H new ATOM 0 HG21 ILE A 77 -16.452 -7.655 -15.040 1.00 54.42 H new ATOM 0 HG22 ILE A 77 -14.910 -8.541 -15.084 1.00 54.42 H new ATOM 0 HG23 ILE A 77 -14.913 -6.762 -15.039 1.00 54.42 H new ATOM 0 HD11 ILE A 77 -18.194 -5.542 -17.504 1.00 3.10 H new ATOM 0 HD12 ILE A 77 -18.147 -7.319 -17.592 1.00 3.10 H new ATOM 0 HD13 ILE A 77 -17.847 -6.496 -16.043 1.00 3.10 H new ATOM 1236 N ASP A 78 -12.530 -8.582 -15.856 1.00 24.22 N ATOM 1237 CA ASP A 78 -11.759 -9.652 -15.232 1.00 43.00 C ATOM 1238 C ASP A 78 -12.681 -10.661 -14.554 1.00 5.21 C ATOM 1239 O ASP A 78 -13.192 -10.413 -13.462 1.00 61.21 O ATOM 1240 CB ASP A 78 -10.776 -9.074 -14.212 1.00 62.45 C ATOM 1241 CG ASP A 78 -9.474 -8.632 -14.850 1.00 23.41 C ATOM 1242 OD1 ASP A 78 -8.668 -9.511 -15.224 1.00 12.30 O ATOM 1243 OD2 ASP A 78 -9.259 -7.408 -14.976 1.00 34.22 O ATOM 0 H ASP A 78 -12.459 -7.681 -15.384 1.00 24.22 H new ATOM 0 HA ASP A 78 -11.199 -10.166 -16.013 1.00 43.00 H new ATOM 0 HB2 ASP A 78 -11.237 -8.225 -13.708 1.00 62.45 H new ATOM 0 HB3 ASP A 78 -10.567 -9.823 -13.448 1.00 62.45 H new ATOM 1248 N TYR A 79 -12.890 -11.797 -15.209 1.00 65.34 N ATOM 1249 CA TYR A 79 -13.753 -12.842 -14.672 1.00 51.10 C ATOM 1250 C TYR A 79 -12.928 -13.949 -14.021 1.00 1.50 C ATOM 1251 O TYR A 79 -11.940 -14.418 -14.586 1.00 65.41 O ATOM 1252 CB TYR A 79 -14.630 -13.429 -15.780 1.00 14.25 C ATOM 1253 CG TYR A 79 -13.842 -14.071 -16.898 1.00 42.04 C ATOM 1254 CD1 TYR A 79 -13.476 -15.410 -16.837 1.00 61.21 C ATOM 1255 CD2 TYR A 79 -13.464 -13.339 -18.018 1.00 14.32 C ATOM 1256 CE1 TYR A 79 -12.756 -16.002 -17.857 1.00 53.42 C ATOM 1257 CE2 TYR A 79 -12.746 -13.923 -19.043 1.00 1.21 C ATOM 1258 CZ TYR A 79 -12.394 -15.253 -18.958 1.00 70.33 C ATOM 1259 OH TYR A 79 -11.676 -15.838 -19.977 1.00 33.02 O ATOM 0 H TYR A 79 -12.473 -12.018 -16.113 1.00 65.34 H new ATOM 0 HA TYR A 79 -14.392 -12.394 -13.911 1.00 51.10 H new ATOM 0 HB2 TYR A 79 -15.301 -14.171 -15.347 1.00 14.25 H new ATOM 0 HB3 TYR A 79 -15.255 -12.638 -16.195 1.00 14.25 H new ATOM 0 HD1 TYR A 79 -13.759 -15.999 -15.977 1.00 61.21 H new ATOM 0 HD2 TYR A 79 -13.736 -12.296 -18.088 1.00 14.32 H new ATOM 0 HE1 TYR A 79 -12.478 -17.044 -17.793 1.00 53.42 H new ATOM 0 HE2 TYR A 79 -12.462 -13.341 -19.907 1.00 1.21 H new ATOM 0 HH TYR A 79 -11.503 -15.175 -20.678 1.00 33.02 H new ATOM 1269 N THR A 80 -13.342 -14.362 -12.827 1.00 41.44 N ATOM 1270 CA THR A 80 -12.643 -15.413 -12.097 1.00 43.43 C ATOM 1271 C THR A 80 -13.537 -16.630 -11.897 1.00 74.50 C ATOM 1272 O THR A 80 -14.611 -16.534 -11.303 1.00 22.14 O ATOM 1273 CB THR A 80 -12.158 -14.914 -10.722 1.00 63.55 C ATOM 1274 OG1 THR A 80 -11.547 -15.989 -10.000 1.00 43.51 O ATOM 1275 CG2 THR A 80 -13.314 -14.345 -9.914 1.00 34.41 C ATOM 0 H THR A 80 -14.158 -13.985 -12.345 1.00 41.44 H new ATOM 0 HA THR A 80 -11.779 -15.695 -12.698 1.00 43.43 H new ATOM 0 HB THR A 80 -11.426 -14.123 -10.884 1.00 63.55 H new ATOM 0 HG1 THR A 80 -11.240 -15.664 -9.128 1.00 43.51 H new ATOM 0 HG21 THR A 80 -12.947 -13.999 -8.948 1.00 34.41 H new ATOM 0 HG22 THR A 80 -13.758 -13.509 -10.454 1.00 34.41 H new ATOM 0 HG23 THR A 80 -14.066 -15.119 -9.761 1.00 34.41 H new ATOM 1283 N VAL A 81 -13.087 -17.777 -12.395 1.00 61.41 N ATOM 1284 CA VAL A 81 -13.846 -19.016 -12.269 1.00 64.53 C ATOM 1285 C VAL A 81 -13.377 -19.828 -11.067 1.00 44.00 C ATOM 1286 O VAL A 81 -12.194 -20.149 -10.944 1.00 24.02 O ATOM 1287 CB VAL A 81 -13.723 -19.881 -13.538 1.00 73.42 C ATOM 1288 CG1 VAL A 81 -14.396 -19.197 -14.718 1.00 11.01 C ATOM 1289 CG2 VAL A 81 -12.262 -20.174 -13.844 1.00 1.14 C ATOM 0 H VAL A 81 -12.200 -17.874 -12.890 1.00 61.41 H new ATOM 0 HA VAL A 81 -14.890 -18.735 -12.129 1.00 64.53 H new ATOM 0 HB VAL A 81 -14.230 -20.829 -13.360 1.00 73.42 H new ATOM 0 HG11 VAL A 81 -14.299 -19.823 -15.605 1.00 11.01 H new ATOM 0 HG12 VAL A 81 -15.452 -19.044 -14.496 1.00 11.01 H new ATOM 0 HG13 VAL A 81 -13.920 -18.233 -14.900 1.00 11.01 H new ATOM 0 HG21 VAL A 81 -12.194 -20.786 -14.743 1.00 1.14 H new ATOM 0 HG22 VAL A 81 -11.728 -19.237 -14.002 1.00 1.14 H new ATOM 0 HG23 VAL A 81 -11.815 -20.709 -13.006 1.00 1.14 H new ATOM 1299 N LEU A 82 -14.311 -20.158 -10.182 1.00 51.11 N ATOM 1300 CA LEU A 82 -13.994 -20.934 -8.988 1.00 42.23 C ATOM 1301 C LEU A 82 -14.568 -22.344 -9.087 1.00 5.41 C ATOM 1302 O LEU A 82 -15.784 -22.528 -9.116 1.00 11.11 O ATOM 1303 CB LEU A 82 -14.540 -20.234 -7.741 1.00 60.53 C ATOM 1304 CG LEU A 82 -14.353 -20.978 -6.418 1.00 44.14 C ATOM 1305 CD1 LEU A 82 -12.885 -20.999 -6.022 1.00 14.21 C ATOM 1306 CD2 LEU A 82 -15.193 -20.337 -5.323 1.00 75.54 C ATOM 0 H LEU A 82 -15.294 -19.900 -10.269 1.00 51.11 H new ATOM 0 HA LEU A 82 -12.909 -21.008 -8.910 1.00 42.23 H new ATOM 0 HB2 LEU A 82 -14.061 -19.259 -7.657 1.00 60.53 H new ATOM 0 HB3 LEU A 82 -15.605 -20.054 -7.887 1.00 60.53 H new ATOM 0 HG LEU A 82 -14.688 -22.007 -6.550 1.00 44.14 H new ATOM 0 HD11 LEU A 82 -12.770 -21.532 -5.078 1.00 14.21 H new ATOM 0 HD12 LEU A 82 -12.306 -21.503 -6.796 1.00 14.21 H new ATOM 0 HD13 LEU A 82 -12.524 -19.977 -5.907 1.00 14.21 H new ATOM 0 HD21 LEU A 82 -15.048 -20.879 -4.389 1.00 75.54 H new ATOM 0 HD22 LEU A 82 -14.888 -19.299 -5.191 1.00 75.54 H new ATOM 0 HD23 LEU A 82 -16.246 -20.373 -5.604 1.00 75.54 H new ATOM 1318 N GLN A 83 -13.683 -23.334 -9.135 1.00 65.42 N ATOM 1319 CA GLN A 83 -14.102 -24.727 -9.229 1.00 61.42 C ATOM 1320 C GLN A 83 -13.985 -25.423 -7.877 1.00 51.00 C ATOM 1321 O GLN A 83 -13.233 -24.986 -7.006 1.00 25.41 O ATOM 1322 CB GLN A 83 -13.260 -25.466 -10.270 1.00 62.33 C ATOM 1323 CG GLN A 83 -13.829 -25.388 -11.679 1.00 4.25 C ATOM 1324 CD GLN A 83 -13.236 -26.432 -12.606 1.00 44.34 C ATOM 1325 OE1 GLN A 83 -12.670 -27.428 -12.157 1.00 22.21 O ATOM 1326 NE2 GLN A 83 -13.363 -26.206 -13.908 1.00 73.23 N ATOM 0 H GLN A 83 -12.672 -23.198 -9.110 1.00 65.42 H new ATOM 0 HA GLN A 83 -15.147 -24.745 -9.538 1.00 61.42 H new ATOM 0 HB2 GLN A 83 -12.252 -25.052 -10.271 1.00 62.33 H new ATOM 0 HB3 GLN A 83 -13.174 -26.513 -9.979 1.00 62.33 H new ATOM 0 HG2 GLN A 83 -14.911 -25.516 -11.638 1.00 4.25 H new ATOM 0 HG3 GLN A 83 -13.641 -24.395 -12.088 1.00 4.25 H new ATOM 0 HE21 GLN A 83 -13.840 -25.366 -14.236 1.00 73.23 H new ATOM 0 HE22 GLN A 83 -12.983 -26.872 -14.581 1.00 73.23 H new ATOM 1335 N ASP A 84 -14.734 -26.508 -7.708 1.00 41.44 N ATOM 1336 CA ASP A 84 -14.713 -27.264 -6.462 1.00 30.24 C ATOM 1337 C ASP A 84 -13.349 -27.909 -6.240 1.00 51.52 C ATOM 1338 O ASP A 84 -12.871 -27.999 -5.110 1.00 31.44 O ATOM 1339 CB ASP A 84 -15.803 -28.338 -6.476 1.00 2.34 C ATOM 1340 CG ASP A 84 -17.197 -27.749 -6.403 1.00 52.14 C ATOM 1341 OD1 ASP A 84 -17.579 -27.012 -7.336 1.00 3.42 O ATOM 1342 OD2 ASP A 84 -17.908 -28.026 -5.414 1.00 60.51 O ATOM 0 H ASP A 84 -15.363 -26.883 -8.418 1.00 41.44 H new ATOM 0 HA ASP A 84 -14.904 -26.572 -5.642 1.00 30.24 H new ATOM 0 HB2 ASP A 84 -15.711 -28.933 -7.384 1.00 2.34 H new ATOM 0 HB3 ASP A 84 -15.653 -29.015 -5.635 1.00 2.34 H new ATOM 1347 N ASN A 85 -12.727 -28.356 -7.326 1.00 61.54 N ATOM 1348 CA ASN A 85 -11.418 -28.994 -7.250 1.00 32.32 C ATOM 1349 C ASN A 85 -10.768 -29.070 -8.629 1.00 14.03 C ATOM 1350 O ASN A 85 -11.431 -29.288 -9.644 1.00 11.24 O ATOM 1351 CB ASN A 85 -11.545 -30.398 -6.657 1.00 14.04 C ATOM 1352 CG ASN A 85 -10.334 -31.263 -6.950 1.00 50.44 C ATOM 1353 OD1 ASN A 85 -10.131 -31.701 -8.082 1.00 50.33 O ATOM 1354 ND2 ASN A 85 -9.524 -31.512 -5.928 1.00 0.14 N ATOM 0 H ASN A 85 -13.109 -28.288 -8.269 1.00 61.54 H new ATOM 0 HA ASN A 85 -10.784 -28.389 -6.602 1.00 32.32 H new ATOM 0 HB2 ASN A 85 -11.681 -30.322 -5.578 1.00 14.04 H new ATOM 0 HB3 ASN A 85 -12.437 -30.879 -7.058 1.00 14.04 H new ATOM 0 HD21 ASN A 85 -8.693 -32.088 -6.064 1.00 0.14 H new ATOM 0 HD22 ASN A 85 -9.732 -31.127 -5.007 1.00 0.14 H new ATOM 1361 N PRO A 86 -9.440 -28.887 -8.668 1.00 0.32 N ATOM 1362 CA PRO A 86 -8.672 -28.931 -9.915 1.00 51.40 C ATOM 1363 C PRO A 86 -8.593 -30.338 -10.498 1.00 54.30 C ATOM 1364 O PRO A 86 -7.950 -31.220 -9.930 1.00 43.04 O ATOM 1365 CB PRO A 86 -7.282 -28.449 -9.492 1.00 44.42 C ATOM 1366 CG PRO A 86 -7.193 -28.774 -8.041 1.00 53.15 C ATOM 1367 CD PRO A 86 -8.587 -28.623 -7.498 1.00 11.43 C ATOM 0 HA PRO A 86 -9.129 -28.325 -10.697 1.00 51.40 H new ATOM 0 HB2 PRO A 86 -6.499 -28.952 -10.059 1.00 44.42 H new ATOM 0 HB3 PRO A 86 -7.164 -27.379 -9.666 1.00 44.42 H new ATOM 0 HG2 PRO A 86 -6.823 -29.788 -7.890 1.00 53.15 H new ATOM 0 HG3 PRO A 86 -6.501 -28.103 -7.532 1.00 53.15 H new ATOM 0 HD2 PRO A 86 -8.782 -29.329 -6.691 1.00 11.43 H new ATOM 0 HD3 PRO A 86 -8.755 -27.624 -7.095 1.00 11.43 H new ATOM 1375 N ARG A 87 -9.252 -30.540 -11.635 1.00 41.12 N ATOM 1376 CA ARG A 87 -9.257 -31.840 -12.294 1.00 1.33 C ATOM 1377 C ARG A 87 -7.834 -32.357 -12.488 1.00 12.42 C ATOM 1378 O ARG A 87 -7.470 -33.414 -11.972 1.00 2.10 O ATOM 1379 CB ARG A 87 -9.966 -31.746 -13.647 1.00 21.54 C ATOM 1380 CG ARG A 87 -9.890 -33.027 -14.463 1.00 11.03 C ATOM 1381 CD ARG A 87 -10.625 -34.168 -13.779 1.00 70.42 C ATOM 1382 NE ARG A 87 -12.074 -34.005 -13.846 1.00 64.54 N ATOM 1383 CZ ARG A 87 -12.935 -35.001 -13.671 1.00 21.33 C ATOM 1384 NH1 ARG A 87 -12.494 -36.226 -13.418 1.00 54.35 N ATOM 1385 NH2 ARG A 87 -14.240 -34.773 -13.748 1.00 30.23 N ATOM 0 H ARG A 87 -9.789 -29.820 -12.118 1.00 41.12 H new ATOM 0 HA ARG A 87 -9.796 -32.541 -11.656 1.00 1.33 H new ATOM 0 HB2 ARG A 87 -11.013 -31.491 -13.482 1.00 21.54 H new ATOM 0 HB3 ARG A 87 -9.526 -30.931 -14.223 1.00 21.54 H new ATOM 0 HG2 ARG A 87 -10.319 -32.857 -15.450 1.00 11.03 H new ATOM 0 HG3 ARG A 87 -8.846 -33.303 -14.612 1.00 11.03 H new ATOM 0 HD2 ARG A 87 -10.345 -35.112 -14.247 1.00 70.42 H new ATOM 0 HD3 ARG A 87 -10.315 -34.225 -12.736 1.00 70.42 H new ATOM 0 HE ARG A 87 -12.446 -33.075 -14.038 1.00 64.54 H new ATOM 0 HH11 ARG A 87 -11.492 -36.405 -13.357 1.00 54.35 H new ATOM 0 HH12 ARG A 87 -13.157 -36.989 -13.284 1.00 54.35 H new ATOM 0 HH21 ARG A 87 -14.583 -33.832 -13.942 1.00 30.23 H new ATOM 0 HH22 ARG A 87 -14.900 -35.539 -13.613 1.00 30.23 H new ATOM 1399 N THR A 88 -7.033 -31.604 -13.235 1.00 64.22 N ATOM 1400 CA THR A 88 -5.652 -31.986 -13.499 1.00 45.21 C ATOM 1401 C THR A 88 -4.730 -30.772 -13.468 1.00 52.11 C ATOM 1402 O THR A 88 -5.062 -29.715 -14.005 1.00 51.44 O ATOM 1403 CB THR A 88 -5.513 -32.686 -14.864 1.00 22.31 C ATOM 1404 OG1 THR A 88 -4.160 -33.110 -15.063 1.00 21.12 O ATOM 1405 CG2 THR A 88 -5.930 -31.757 -15.994 1.00 30.12 C ATOM 0 H THR A 88 -7.318 -30.725 -13.668 1.00 64.22 H new ATOM 0 HA THR A 88 -5.361 -32.681 -12.711 1.00 45.21 H new ATOM 0 HB THR A 88 -6.170 -33.556 -14.869 1.00 22.31 H new ATOM 0 HG1 THR A 88 -4.081 -33.555 -15.932 1.00 21.12 H new ATOM 0 HG21 THR A 88 -5.823 -32.274 -16.948 1.00 30.12 H new ATOM 0 HG22 THR A 88 -6.970 -31.461 -15.856 1.00 30.12 H new ATOM 0 HG23 THR A 88 -5.296 -30.870 -15.989 1.00 30.12 H new ATOM 1413 N ILE A 89 -3.571 -30.931 -12.839 1.00 3.52 N ATOM 1414 CA ILE A 89 -2.601 -29.847 -12.740 1.00 61.21 C ATOM 1415 C ILE A 89 -1.206 -30.321 -13.136 1.00 20.13 C ATOM 1416 O ILE A 89 -0.813 -31.448 -12.835 1.00 62.12 O ATOM 1417 CB ILE A 89 -2.548 -29.266 -11.314 1.00 33.40 C ATOM 1418 CG1 ILE A 89 -2.142 -30.350 -10.313 1.00 62.21 C ATOM 1419 CG2 ILE A 89 -3.894 -28.667 -10.937 1.00 33.40 C ATOM 1420 CD1 ILE A 89 -0.651 -30.419 -10.070 1.00 21.14 C ATOM 0 H ILE A 89 -3.280 -31.800 -12.390 1.00 3.52 H new ATOM 0 HA ILE A 89 -2.927 -29.068 -13.428 1.00 61.21 H new ATOM 0 HB ILE A 89 -1.799 -28.474 -11.287 1.00 33.40 H new ATOM 0 HG12 ILE A 89 -2.648 -30.166 -9.365 1.00 62.21 H new ATOM 0 HG13 ILE A 89 -2.488 -31.317 -10.677 1.00 62.21 H new ATOM 0 HG21 ILE A 89 -3.841 -28.260 -9.927 1.00 33.40 H new ATOM 0 HG22 ILE A 89 -4.146 -27.870 -11.636 1.00 33.40 H new ATOM 0 HG23 ILE A 89 -4.661 -29.441 -10.977 1.00 33.40 H new ATOM 0 HD11 ILE A 89 -0.436 -31.209 -9.350 1.00 21.14 H new ATOM 0 HD12 ILE A 89 -0.139 -30.633 -11.008 1.00 21.14 H new ATOM 0 HD13 ILE A 89 -0.302 -29.464 -9.676 1.00 21.14 H new ATOM 1432 N VAL A 90 -0.461 -29.450 -13.810 1.00 24.32 N ATOM 1433 CA VAL A 90 0.891 -29.778 -14.244 1.00 3.02 C ATOM 1434 C VAL A 90 0.918 -31.093 -15.015 1.00 24.34 C ATOM 1435 O VAL A 90 1.374 -32.123 -14.517 1.00 75.13 O ATOM 1436 CB VAL A 90 1.858 -29.877 -13.048 1.00 55.42 C ATOM 1437 CG1 VAL A 90 3.272 -30.168 -13.526 1.00 52.31 C ATOM 1438 CG2 VAL A 90 1.816 -28.598 -12.224 1.00 2.14 C ATOM 0 H VAL A 90 -0.771 -28.513 -14.067 1.00 24.32 H new ATOM 0 HA VAL A 90 1.217 -28.970 -14.899 1.00 3.02 H new ATOM 0 HB VAL A 90 1.540 -30.703 -12.412 1.00 55.42 H new ATOM 0 HG11 VAL A 90 3.940 -30.234 -12.667 1.00 52.31 H new ATOM 0 HG12 VAL A 90 3.285 -31.113 -14.070 1.00 52.31 H new ATOM 0 HG13 VAL A 90 3.606 -29.366 -14.184 1.00 52.31 H new ATOM 0 HG21 VAL A 90 2.504 -28.684 -11.383 1.00 2.14 H new ATOM 0 HG22 VAL A 90 2.109 -27.754 -12.848 1.00 2.14 H new ATOM 0 HG23 VAL A 90 0.805 -28.439 -11.850 1.00 2.14 H new ATOM 1448 N PRO A 91 0.420 -31.060 -16.260 1.00 14.11 N ATOM 1449 CA PRO A 91 0.376 -32.241 -17.126 1.00 4.11 C ATOM 1450 C PRO A 91 1.764 -32.673 -17.589 1.00 0.41 C ATOM 1451 O PRO A 91 2.694 -31.868 -17.630 1.00 44.04 O ATOM 1452 CB PRO A 91 -0.463 -31.775 -18.318 1.00 53.24 C ATOM 1453 CG PRO A 91 -0.289 -30.296 -18.350 1.00 30.10 C ATOM 1454 CD PRO A 91 -0.139 -29.866 -16.916 1.00 63.22 C ATOM 0 HA PRO A 91 -0.035 -33.109 -16.611 1.00 4.11 H new ATOM 0 HB2 PRO A 91 -0.121 -32.234 -19.246 1.00 53.24 H new ATOM 0 HB3 PRO A 91 -1.511 -32.048 -18.195 1.00 53.24 H new ATOM 0 HG2 PRO A 91 0.588 -30.019 -18.934 1.00 30.10 H new ATOM 0 HG3 PRO A 91 -1.148 -29.812 -18.815 1.00 30.10 H new ATOM 0 HD2 PRO A 91 0.525 -29.007 -16.821 1.00 63.22 H new ATOM 0 HD3 PRO A 91 -1.096 -29.579 -16.480 1.00 63.22 H new ATOM 1462 N LYS A 92 1.896 -33.949 -17.934 1.00 64.34 N ATOM 1463 CA LYS A 92 3.170 -34.489 -18.396 1.00 40.32 C ATOM 1464 C LYS A 92 3.672 -33.729 -19.620 1.00 72.41 C ATOM 1465 O LYS A 92 4.673 -33.016 -19.553 1.00 53.42 O ATOM 1466 CB LYS A 92 3.027 -35.975 -18.728 1.00 25.03 C ATOM 1467 CG LYS A 92 4.274 -36.583 -19.348 1.00 42.53 C ATOM 1468 CD LYS A 92 4.145 -38.089 -19.498 1.00 70.15 C ATOM 1469 CE LYS A 92 5.306 -38.672 -20.288 1.00 32.13 C ATOM 1470 NZ LYS A 92 6.538 -38.789 -19.459 1.00 44.33 N ATOM 0 H LYS A 92 1.136 -34.629 -17.903 1.00 64.34 H new ATOM 0 HA LYS A 92 3.898 -34.371 -17.594 1.00 40.32 H new ATOM 0 HB2 LYS A 92 2.782 -36.520 -17.817 1.00 25.03 H new ATOM 0 HB3 LYS A 92 2.190 -36.107 -19.413 1.00 25.03 H new ATOM 0 HG2 LYS A 92 4.452 -36.133 -20.325 1.00 42.53 H new ATOM 0 HG3 LYS A 92 5.140 -36.351 -18.728 1.00 42.53 H new ATOM 0 HD2 LYS A 92 4.106 -38.552 -18.512 1.00 70.15 H new ATOM 0 HD3 LYS A 92 3.207 -38.327 -19.999 1.00 70.15 H new ATOM 0 HE2 LYS A 92 5.029 -39.655 -20.668 1.00 32.13 H new ATOM 0 HE3 LYS A 92 5.509 -38.041 -21.154 1.00 32.13 H new ATOM 0 HZ1 LYS A 92 7.306 -39.190 -20.034 1.00 44.33 H new ATOM 0 HZ2 LYS A 92 6.817 -37.847 -19.117 1.00 44.33 H new ATOM 0 HZ3 LYS A 92 6.352 -39.411 -18.647 1.00 44.33 H new ATOM 1484 N SER A 93 2.968 -33.887 -20.738 1.00 10.52 N ATOM 1485 CA SER A 93 3.344 -33.218 -21.977 1.00 41.45 C ATOM 1486 C SER A 93 2.283 -33.432 -23.053 1.00 24.55 C ATOM 1487 O SER A 93 1.321 -34.174 -22.852 1.00 70.35 O ATOM 1488 CB SER A 93 4.698 -33.732 -22.469 1.00 70.14 C ATOM 1489 OG SER A 93 4.684 -35.141 -22.620 1.00 60.24 O ATOM 0 H SER A 93 2.135 -34.472 -20.810 1.00 10.52 H new ATOM 0 HA SER A 93 3.422 -32.150 -21.775 1.00 41.45 H new ATOM 0 HB2 SER A 93 4.944 -33.263 -23.422 1.00 70.14 H new ATOM 0 HB3 SER A 93 5.477 -33.446 -21.763 1.00 70.14 H new ATOM 0 HG SER A 93 5.560 -35.445 -22.937 1.00 60.24 H new ATOM 1495 N TYR A 94 2.467 -32.779 -24.195 1.00 31.52 N ATOM 1496 CA TYR A 94 1.526 -32.897 -25.302 1.00 61.45 C ATOM 1497 C TYR A 94 2.063 -32.201 -26.549 1.00 63.21 C ATOM 1498 O TYR A 94 2.412 -31.021 -26.515 1.00 32.55 O ATOM 1499 CB TYR A 94 0.173 -32.299 -24.915 1.00 52.42 C ATOM 1500 CG TYR A 94 -0.801 -32.206 -26.068 1.00 43.53 C ATOM 1501 CD1 TYR A 94 -1.516 -33.318 -26.491 1.00 24.24 C ATOM 1502 CD2 TYR A 94 -1.006 -31.003 -26.733 1.00 51.45 C ATOM 1503 CE1 TYR A 94 -2.405 -33.238 -27.545 1.00 52.13 C ATOM 1504 CE2 TYR A 94 -1.894 -30.912 -27.787 1.00 34.34 C ATOM 1505 CZ TYR A 94 -2.592 -32.033 -28.189 1.00 64.00 C ATOM 1506 OH TYR A 94 -3.478 -31.948 -29.238 1.00 54.13 O ATOM 0 H TYR A 94 3.259 -32.163 -24.378 1.00 31.52 H new ATOM 0 HA TYR A 94 1.397 -33.956 -25.525 1.00 61.45 H new ATOM 0 HB2 TYR A 94 -0.270 -32.905 -24.125 1.00 52.42 H new ATOM 0 HB3 TYR A 94 0.330 -31.303 -24.502 1.00 52.42 H new ATOM 0 HD1 TYR A 94 -1.375 -34.263 -25.987 1.00 24.24 H new ATOM 0 HD2 TYR A 94 -0.462 -30.124 -26.420 1.00 51.45 H new ATOM 0 HE1 TYR A 94 -2.951 -34.114 -27.863 1.00 52.13 H new ATOM 0 HE2 TYR A 94 -2.041 -29.970 -28.294 1.00 34.34 H new ATOM 0 HH TYR A 94 -3.493 -31.030 -29.580 1.00 54.13 H new ATOM 1516 N ALA A 95 2.127 -32.942 -27.651 1.00 65.24 N ATOM 1517 CA ALA A 95 2.618 -32.398 -28.911 1.00 3.12 C ATOM 1518 C ALA A 95 1.478 -31.817 -29.740 1.00 3.42 C ATOM 1519 O ALA A 95 0.319 -32.198 -29.572 1.00 44.45 O ATOM 1520 CB ALA A 95 3.353 -33.472 -29.699 1.00 40.41 C ATOM 0 H ALA A 95 1.845 -33.921 -27.696 1.00 65.24 H new ATOM 0 HA ALA A 95 3.314 -31.591 -28.683 1.00 3.12 H new ATOM 0 HB1 ALA A 95 3.714 -33.052 -30.638 1.00 40.41 H new ATOM 0 HB2 ALA A 95 4.198 -33.837 -29.116 1.00 40.41 H new ATOM 0 HB3 ALA A 95 2.674 -34.298 -29.909 1.00 40.41 H new ATOM 1526 N ASP A 96 1.814 -30.894 -30.634 1.00 64.15 N ATOM 1527 CA ASP A 96 0.819 -30.260 -31.490 1.00 75.23 C ATOM 1528 C ASP A 96 1.350 -30.090 -32.910 1.00 24.02 C ATOM 1529 O ASP A 96 2.257 -29.293 -33.152 1.00 22.13 O ATOM 1530 CB ASP A 96 0.412 -28.901 -30.918 1.00 22.13 C ATOM 1531 CG ASP A 96 1.606 -28.084 -30.466 1.00 45.05 C ATOM 1532 OD1 ASP A 96 2.038 -28.255 -29.307 1.00 42.23 O ATOM 1533 OD2 ASP A 96 2.109 -27.272 -31.272 1.00 10.53 O ATOM 0 H ASP A 96 2.769 -30.568 -30.785 1.00 64.15 H new ATOM 0 HA ASP A 96 -0.057 -30.907 -31.525 1.00 75.23 H new ATOM 0 HB2 ASP A 96 -0.142 -28.343 -31.673 1.00 22.13 H new ATOM 0 HB3 ASP A 96 -0.262 -29.052 -30.075 1.00 22.13 H new ATOM 1538 N ASN A 97 0.782 -30.845 -33.844 1.00 50.33 N ATOM 1539 CA ASN A 97 1.201 -30.778 -35.240 1.00 75.11 C ATOM 1540 C ASN A 97 0.095 -31.279 -36.164 1.00 42.41 C ATOM 1541 O ASN A 97 -0.764 -32.060 -35.755 1.00 34.02 O ATOM 1542 CB ASN A 97 2.471 -31.603 -35.452 1.00 11.12 C ATOM 1543 CG ASN A 97 2.306 -33.044 -35.008 1.00 5.42 C ATOM 1544 OD1 ASN A 97 2.037 -33.317 -33.838 1.00 62.11 O ATOM 1545 ND2 ASN A 97 2.467 -33.973 -35.942 1.00 60.15 N ATOM 0 H ASN A 97 0.031 -31.510 -33.660 1.00 50.33 H new ATOM 0 HA ASN A 97 1.408 -29.736 -35.482 1.00 75.11 H new ATOM 0 HB2 ASN A 97 2.744 -31.580 -36.507 1.00 11.12 H new ATOM 0 HB3 ASN A 97 3.293 -31.148 -34.900 1.00 11.12 H new ATOM 0 HD21 ASN A 97 2.368 -34.960 -35.702 1.00 60.15 H new ATOM 0 HD22 ASN A 97 2.689 -33.700 -36.899 1.00 60.15 H new ATOM 1552 N PHE A 98 0.124 -30.824 -37.412 1.00 32.23 N ATOM 1553 CA PHE A 98 -0.876 -31.226 -38.395 1.00 51.54 C ATOM 1554 C PHE A 98 -0.211 -31.732 -39.672 1.00 54.32 C ATOM 1555 O PHE A 98 0.519 -30.998 -40.339 1.00 31.34 O ATOM 1556 CB PHE A 98 -1.802 -30.051 -38.720 1.00 43.03 C ATOM 1557 CG PHE A 98 -3.083 -30.465 -39.387 1.00 62.41 C ATOM 1558 CD1 PHE A 98 -3.969 -31.316 -38.746 1.00 63.44 C ATOM 1559 CD2 PHE A 98 -3.401 -30.002 -40.654 1.00 71.41 C ATOM 1560 CE1 PHE A 98 -5.148 -31.698 -39.358 1.00 35.42 C ATOM 1561 CE2 PHE A 98 -4.579 -30.382 -41.270 1.00 0.32 C ATOM 1562 CZ PHE A 98 -5.454 -31.230 -40.621 1.00 32.13 C ATOM 0 H PHE A 98 0.828 -30.177 -37.767 1.00 32.23 H new ATOM 0 HA PHE A 98 -1.465 -32.037 -37.967 1.00 51.54 H new ATOM 0 HB2 PHE A 98 -2.037 -29.518 -37.799 1.00 43.03 H new ATOM 0 HB3 PHE A 98 -1.274 -29.351 -39.367 1.00 43.03 H new ATOM 0 HD1 PHE A 98 -3.736 -31.685 -37.758 1.00 63.44 H new ATOM 0 HD2 PHE A 98 -2.721 -29.337 -41.166 1.00 71.41 H new ATOM 0 HE1 PHE A 98 -5.830 -32.363 -38.849 1.00 35.42 H new ATOM 0 HE2 PHE A 98 -4.815 -30.016 -42.258 1.00 0.32 H new ATOM 0 HZ PHE A 98 -6.376 -31.527 -41.100 1.00 32.13 H new ATOM 1572 N THR A 99 -0.469 -32.993 -40.006 1.00 1.05 N ATOM 1573 CA THR A 99 0.105 -33.600 -41.199 1.00 45.44 C ATOM 1574 C THR A 99 -0.873 -34.575 -41.845 1.00 44.51 C ATOM 1575 O THR A 99 -1.360 -35.503 -41.198 1.00 41.41 O ATOM 1576 CB THR A 99 1.415 -34.342 -40.878 1.00 4.15 C ATOM 1577 OG1 THR A 99 1.878 -35.045 -42.037 1.00 73.51 O ATOM 1578 CG2 THR A 99 1.216 -35.322 -39.731 1.00 52.22 C ATOM 0 H THR A 99 -1.072 -33.613 -39.466 1.00 1.05 H new ATOM 0 HA THR A 99 0.318 -32.788 -41.895 1.00 45.44 H new ATOM 0 HB THR A 99 2.160 -33.604 -40.580 1.00 4.15 H new ATOM 0 HG1 THR A 99 2.712 -35.513 -41.824 1.00 73.51 H new ATOM 0 HG21 THR A 99 2.155 -35.834 -39.523 1.00 52.22 H new ATOM 0 HG22 THR A 99 0.893 -34.781 -38.842 1.00 52.22 H new ATOM 0 HG23 THR A 99 0.457 -36.054 -40.006 1.00 52.22 H new ATOM 1586 N LYS A 100 -1.156 -34.360 -43.125 1.00 33.31 N ATOM 1587 CA LYS A 100 -2.075 -35.222 -43.860 1.00 20.31 C ATOM 1588 C LYS A 100 -1.687 -36.689 -43.706 1.00 45.13 C ATOM 1589 O LYS A 100 -0.538 -37.025 -43.418 1.00 44.23 O ATOM 1590 CB LYS A 100 -2.090 -34.839 -45.342 1.00 25.55 C ATOM 1591 CG LYS A 100 -0.706 -34.602 -45.922 1.00 42.40 C ATOM 1592 CD LYS A 100 -0.720 -34.665 -47.441 1.00 2.30 C ATOM 1593 CE LYS A 100 -1.220 -33.362 -48.048 1.00 21.53 C ATOM 1594 NZ LYS A 100 -1.510 -33.504 -49.502 1.00 31.32 N ATOM 0 H LYS A 100 -0.763 -33.597 -43.675 1.00 33.31 H new ATOM 0 HA LYS A 100 -3.074 -35.084 -43.445 1.00 20.31 H new ATOM 0 HB2 LYS A 100 -2.582 -35.630 -45.908 1.00 25.55 H new ATOM 0 HB3 LYS A 100 -2.688 -33.937 -45.470 1.00 25.55 H new ATOM 0 HG2 LYS A 100 -0.338 -33.628 -45.601 1.00 42.40 H new ATOM 0 HG3 LYS A 100 -0.014 -35.349 -45.532 1.00 42.40 H new ATOM 0 HD2 LYS A 100 0.285 -34.876 -47.807 1.00 2.30 H new ATOM 0 HD3 LYS A 100 -1.357 -35.487 -47.766 1.00 2.30 H new ATOM 0 HE2 LYS A 100 -2.122 -33.041 -47.527 1.00 21.53 H new ATOM 0 HE3 LYS A 100 -0.473 -32.582 -47.901 1.00 21.53 H new ATOM 0 HZ1 LYS A 100 -1.848 -32.596 -49.879 1.00 31.32 H new ATOM 0 HZ2 LYS A 100 -0.643 -33.786 -50.003 1.00 31.32 H new ATOM 0 HZ3 LYS A 100 -2.241 -34.230 -49.641 1.00 31.32 H new ATOM 1608 N PRO A 101 -2.665 -37.585 -43.905 1.00 12.34 N ATOM 1609 CA PRO A 101 -2.448 -39.030 -43.795 1.00 24.23 C ATOM 1610 C PRO A 101 -1.586 -39.575 -44.929 1.00 41.22 C ATOM 1611 O PRO A 101 -0.871 -40.564 -44.759 1.00 53.31 O ATOM 1612 CB PRO A 101 -3.863 -39.609 -43.876 1.00 12.35 C ATOM 1613 CG PRO A 101 -4.648 -38.588 -44.625 1.00 4.41 C ATOM 1614 CD PRO A 101 -4.058 -37.256 -44.251 1.00 43.34 C ATOM 0 HA PRO A 101 -1.916 -39.293 -42.881 1.00 24.23 H new ATOM 0 HB2 PRO A 101 -3.869 -40.569 -44.392 1.00 12.35 H new ATOM 0 HB3 PRO A 101 -4.279 -39.778 -42.883 1.00 12.35 H new ATOM 0 HG2 PRO A 101 -4.582 -38.756 -45.700 1.00 4.41 H new ATOM 0 HG3 PRO A 101 -5.704 -38.636 -44.359 1.00 4.41 H new ATOM 0 HD2 PRO A 101 -4.110 -36.547 -45.077 1.00 43.34 H new ATOM 0 HD3 PRO A 101 -4.585 -36.805 -43.410 1.00 43.34 H new ATOM 1622 N ARG A 102 -1.657 -38.924 -46.086 1.00 22.12 N ATOM 1623 CA ARG A 102 -0.883 -39.344 -47.248 1.00 34.34 C ATOM 1624 C ARG A 102 -1.253 -40.765 -47.663 1.00 24.13 C ATOM 1625 O ARG A 102 -0.434 -41.490 -48.228 1.00 21.43 O ATOM 1626 CB ARG A 102 0.614 -39.263 -46.945 1.00 65.13 C ATOM 1627 CG ARG A 102 1.486 -39.228 -48.191 1.00 11.14 C ATOM 1628 CD ARG A 102 1.616 -37.817 -48.741 1.00 74.13 C ATOM 1629 NE ARG A 102 2.619 -37.731 -49.799 1.00 32.33 N ATOM 1630 CZ ARG A 102 2.451 -38.240 -51.014 1.00 21.44 C ATOM 1631 NH1 ARG A 102 1.325 -38.868 -51.323 1.00 60.35 N ATOM 1632 NH2 ARG A 102 3.411 -38.122 -51.922 1.00 30.52 N ATOM 0 H ARG A 102 -2.243 -38.104 -46.243 1.00 22.12 H new ATOM 0 HA ARG A 102 -1.117 -38.671 -48.073 1.00 34.34 H new ATOM 0 HB2 ARG A 102 0.808 -38.370 -46.351 1.00 65.13 H new ATOM 0 HB3 ARG A 102 0.900 -40.120 -46.335 1.00 65.13 H new ATOM 0 HG2 ARG A 102 2.475 -39.620 -47.955 1.00 11.14 H new ATOM 0 HG3 ARG A 102 1.059 -39.879 -48.954 1.00 11.14 H new ATOM 0 HD2 ARG A 102 0.652 -37.489 -49.129 1.00 74.13 H new ATOM 0 HD3 ARG A 102 1.883 -37.136 -47.933 1.00 74.13 H new ATOM 0 HE ARG A 102 3.497 -37.254 -49.593 1.00 32.33 H new ATOM 0 HH11 ARG A 102 0.585 -38.961 -50.627 1.00 60.35 H new ATOM 0 HH12 ARG A 102 1.198 -39.258 -52.257 1.00 60.35 H new ATOM 0 HH21 ARG A 102 4.279 -37.640 -51.687 1.00 30.52 H new ATOM 0 HH22 ARG A 102 3.281 -38.513 -52.855 1.00 30.52 H new ATOM 1646 N ASP A 103 -2.490 -41.155 -47.378 1.00 70.40 N ATOM 1647 CA ASP A 103 -2.969 -42.489 -47.722 1.00 72.01 C ATOM 1648 C ASP A 103 -3.970 -42.427 -48.871 1.00 75.11 C ATOM 1649 O ASP A 103 -5.028 -41.809 -48.754 1.00 23.22 O ATOM 1650 CB ASP A 103 -3.612 -43.153 -46.503 1.00 74.52 C ATOM 1651 CG ASP A 103 -3.980 -44.602 -46.760 1.00 3.50 C ATOM 1652 OD1 ASP A 103 -3.083 -45.381 -47.148 1.00 13.41 O ATOM 1653 OD2 ASP A 103 -5.161 -44.957 -46.571 1.00 53.23 O ATOM 0 H ASP A 103 -3.179 -40.567 -46.910 1.00 70.40 H new ATOM 0 HA ASP A 103 -2.114 -43.085 -48.041 1.00 72.01 H new ATOM 0 HB2 ASP A 103 -2.924 -43.100 -45.659 1.00 74.52 H new ATOM 0 HB3 ASP A 103 -4.507 -42.598 -46.220 1.00 74.52 H new ATOM 1658 N MET A 104 -3.628 -43.073 -49.982 1.00 54.34 N ATOM 1659 CA MET A 104 -4.498 -43.090 -51.153 1.00 4.33 C ATOM 1660 C MET A 104 -5.188 -44.443 -51.297 1.00 53.13 C ATOM 1661 O MET A 104 -4.564 -45.491 -51.126 1.00 45.24 O ATOM 1662 CB MET A 104 -3.694 -42.778 -52.417 1.00 12.12 C ATOM 1663 CG MET A 104 -3.230 -41.332 -52.500 1.00 23.24 C ATOM 1664 SD MET A 104 -2.797 -40.837 -54.178 1.00 25.31 S ATOM 1665 CE MET A 104 -2.528 -39.082 -53.955 1.00 44.53 C ATOM 0 H MET A 104 -2.756 -43.590 -50.096 1.00 54.34 H new ATOM 0 HA MET A 104 -5.262 -42.324 -51.019 1.00 4.33 H new ATOM 0 HB2 MET A 104 -2.824 -43.433 -52.455 1.00 12.12 H new ATOM 0 HB3 MET A 104 -4.304 -43.006 -53.291 1.00 12.12 H new ATOM 0 HG2 MET A 104 -4.018 -40.679 -52.125 1.00 23.24 H new ATOM 0 HG3 MET A 104 -2.366 -41.194 -51.850 1.00 23.24 H new ATOM 0 HE1 MET A 104 -2.252 -38.632 -54.909 1.00 44.53 H new ATOM 0 HE2 MET A 104 -3.443 -38.618 -53.586 1.00 44.53 H new ATOM 0 HE3 MET A 104 -1.726 -38.926 -53.234 1.00 44.53 H new TER 1675 MET A 104