USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1079 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 135 HIS : no HD1:sc= 0.246 K(o=0.21,f=-0.3) USER MOD Set 1.2: A 136 SER OG : rot 84:sc= -0.0342 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 169:sc= 1.04 (180deg=-0.314) USER MOD Set 2.2: A 38 SER OG : rot 51:sc= -0.403 USER MOD Single : A 15 MET CE :methyl -161:sc= -0.0757 (180deg=-0.519) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= -1.13! (180deg=-1.41!) USER MOD Single : A 26 TYR OH : rot 51:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot -76:sc= 1.29 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0753 USER MOD Single : A 40 ASN : amide:sc= 0.715 K(o=0.71,f=-1.5!) USER MOD Single : A 41 SER OG : rot -140:sc= -0.104 USER MOD Single : A 43 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.065 K(o=0.065,f=-3.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.284 K(o=0.28,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.00322 X(o=0.0032,f=-0.23) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 65 THR OG1 : rot 140:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.011) USER MOD Single : A 74 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -148:sc= 1.17 (180deg=0.265) USER MOD Single : A 88 ASN : amide:sc= -0.02 K(o=-0.02,f=-7.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 151:sc= 1.18 (180deg=1.16) USER MOD Single : A 105 SER OG : rot 80:sc= -0.124 USER MOD Single : A 108 GLN : amide:sc= 0.262 K(o=0.26,f=-0.44) USER MOD Single : A 110 SER OG : rot -128:sc= 1.29 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot -132:sc= 1.17 USER MOD Single : A 128 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.97) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 CYS SG : rot -170:sc= -0.314 USER MOD Single : A 138 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.25) USER MOD Single : A 141 MET CE :methyl -161:sc= -0.122 (180deg=-0.701) USER MOD Single : A 142 SER OG : rot -43:sc= 0.497 USER MOD Single : A 143 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.03) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -24.151 10.569 7.396 1.00 11.00 N ATOM 2 CA ASP A 14 -24.247 10.641 8.860 1.00 43.05 C ATOM 3 C ASP A 14 -23.724 11.976 9.302 1.00 52.43 C ATOM 4 O ASP A 14 -22.770 12.480 8.720 1.00 33.52 O ATOM 5 CB ASP A 14 -23.400 9.535 9.513 1.00 25.14 C ATOM 6 CG ASP A 14 -23.853 8.144 9.153 1.00 71.14 C ATOM 7 OD1 ASP A 14 -24.085 7.328 10.061 1.00 43.40 O ATOM 8 OD2 ASP A 14 -23.997 7.843 7.952 1.00 25.03 O ATOM 0 HA ASP A 14 -25.287 10.510 9.159 1.00 43.05 H new ATOM 0 HB2 ASP A 14 -22.360 9.659 9.213 1.00 25.14 H new ATOM 0 HB3 ASP A 14 -23.436 9.652 10.596 1.00 25.14 H new ATOM 13 N MET A 15 -24.331 12.575 10.301 1.00 42.30 N ATOM 14 CA MET A 15 -23.831 13.847 10.796 1.00 21.32 C ATOM 15 C MET A 15 -22.838 13.606 11.910 1.00 45.12 C ATOM 16 O MET A 15 -21.952 14.419 12.186 1.00 32.13 O ATOM 17 CB MET A 15 -24.962 14.796 11.205 1.00 14.11 C ATOM 18 CG MET A 15 -24.480 16.166 11.673 1.00 52.25 C ATOM 19 SD MET A 15 -25.826 17.300 12.061 1.00 25.31 S ATOM 20 CE MET A 15 -26.564 17.525 10.444 1.00 40.24 C ATOM 0 H MET A 15 -25.155 12.215 10.782 1.00 42.30 H new ATOM 0 HA MET A 15 -23.310 14.355 9.984 1.00 21.32 H new ATOM 0 HB2 MET A 15 -25.636 14.928 10.359 1.00 14.11 H new ATOM 0 HB3 MET A 15 -25.541 14.333 12.004 1.00 14.11 H new ATOM 0 HG2 MET A 15 -23.853 16.041 12.556 1.00 52.25 H new ATOM 0 HG3 MET A 15 -23.854 16.608 10.898 1.00 52.25 H new ATOM 0 HE1 MET A 15 -27.172 18.430 10.444 1.00 40.24 H new ATOM 0 HE2 MET A 15 -25.778 17.616 9.695 1.00 40.24 H new ATOM 0 HE3 MET A 15 -27.192 16.666 10.208 1.00 40.24 H new ATOM 30 N VAL A 16 -22.954 12.454 12.484 1.00 61.12 N ATOM 31 CA VAL A 16 -22.065 12.002 13.530 1.00 14.11 C ATOM 32 C VAL A 16 -20.819 11.365 12.899 1.00 25.45 C ATOM 33 O VAL A 16 -20.582 10.159 12.975 1.00 54.40 O ATOM 34 CB VAL A 16 -22.775 11.037 14.539 1.00 14.05 C ATOM 35 CG1 VAL A 16 -23.821 11.796 15.341 1.00 10.22 C ATOM 36 CG2 VAL A 16 -23.443 9.855 13.825 1.00 14.55 C ATOM 0 H VAL A 16 -23.680 11.780 12.242 1.00 61.12 H new ATOM 0 HA VAL A 16 -21.756 12.865 14.120 1.00 14.11 H new ATOM 0 HB VAL A 16 -22.008 10.643 15.206 1.00 14.05 H new ATOM 0 HG11 VAL A 16 -24.308 11.116 16.039 1.00 10.22 H new ATOM 0 HG12 VAL A 16 -23.340 12.602 15.895 1.00 10.22 H new ATOM 0 HG13 VAL A 16 -24.565 12.215 14.664 1.00 10.22 H new ATOM 0 HG21 VAL A 16 -23.924 9.210 14.561 1.00 14.55 H new ATOM 0 HG22 VAL A 16 -24.191 10.228 13.125 1.00 14.55 H new ATOM 0 HG23 VAL A 16 -22.689 9.286 13.281 1.00 14.55 H new ATOM 46 N THR A 17 -20.044 12.202 12.264 1.00 64.12 N ATOM 47 CA THR A 17 -18.925 11.792 11.464 1.00 11.43 C ATOM 48 C THR A 17 -17.832 11.119 12.273 1.00 13.04 C ATOM 49 O THR A 17 -17.257 10.150 11.836 1.00 44.34 O ATOM 50 CB THR A 17 -18.384 12.986 10.669 1.00 41.24 C ATOM 51 OG1 THR A 17 -18.151 14.080 11.563 1.00 40.23 O ATOM 52 CG2 THR A 17 -19.399 13.418 9.635 1.00 23.44 C ATOM 0 H THR A 17 -20.178 13.213 12.290 1.00 64.12 H new ATOM 0 HA THR A 17 -19.283 11.035 10.766 1.00 11.43 H new ATOM 0 HB THR A 17 -17.457 12.695 10.175 1.00 41.24 H new ATOM 0 HG1 THR A 17 -17.803 14.846 11.060 1.00 40.23 H new ATOM 0 HG21 THR A 17 -19.008 14.267 9.074 1.00 23.44 H new ATOM 0 HG22 THR A 17 -19.597 12.592 8.952 1.00 23.44 H new ATOM 0 HG23 THR A 17 -20.325 13.707 10.133 1.00 23.44 H new ATOM 60 N ASP A 18 -17.590 11.600 13.473 1.00 3.25 N ATOM 61 CA ASP A 18 -16.562 11.028 14.349 1.00 3.10 C ATOM 62 C ASP A 18 -16.907 9.585 14.706 1.00 14.20 C ATOM 63 O ASP A 18 -16.045 8.681 14.681 1.00 23.22 O ATOM 64 CB ASP A 18 -16.428 11.871 15.608 1.00 4.44 C ATOM 65 CG ASP A 18 -15.355 11.377 16.558 1.00 62.53 C ATOM 66 OD1 ASP A 18 -15.655 10.549 17.427 1.00 24.50 O ATOM 67 OD2 ASP A 18 -14.199 11.837 16.473 1.00 14.32 O ATOM 0 H ASP A 18 -18.090 12.392 13.877 1.00 3.25 H new ATOM 0 HA ASP A 18 -15.608 11.030 13.821 1.00 3.10 H new ATOM 0 HB2 ASP A 18 -16.205 12.900 15.324 1.00 4.44 H new ATOM 0 HB3 ASP A 18 -17.385 11.885 16.130 1.00 4.44 H new ATOM 72 N LEU A 19 -18.178 9.359 14.967 1.00 65.00 N ATOM 73 CA LEU A 19 -18.669 8.039 15.309 1.00 2.41 C ATOM 74 C LEU A 19 -18.636 7.175 14.064 1.00 3.24 C ATOM 75 O LEU A 19 -18.241 6.005 14.105 1.00 34.42 O ATOM 76 CB LEU A 19 -20.103 8.145 15.929 1.00 73.23 C ATOM 77 CG LEU A 19 -20.817 6.856 16.438 1.00 61.23 C ATOM 78 CD1 LEU A 19 -21.349 5.991 15.302 1.00 72.44 C ATOM 79 CD2 LEU A 19 -19.893 6.046 17.337 1.00 55.14 C ATOM 0 H LEU A 19 -18.898 10.082 14.948 1.00 65.00 H new ATOM 0 HA LEU A 19 -18.035 7.573 16.064 1.00 2.41 H new ATOM 0 HB2 LEU A 19 -20.046 8.839 16.767 1.00 73.23 H new ATOM 0 HB3 LEU A 19 -20.750 8.602 15.180 1.00 73.23 H new ATOM 0 HG LEU A 19 -21.679 7.185 17.018 1.00 61.23 H new ATOM 0 HD11 LEU A 19 -21.836 5.108 15.715 1.00 72.44 H new ATOM 0 HD12 LEU A 19 -22.069 6.562 14.716 1.00 72.44 H new ATOM 0 HD13 LEU A 19 -20.523 5.684 14.661 1.00 72.44 H new ATOM 0 HD21 LEU A 19 -20.412 5.151 17.680 1.00 55.14 H new ATOM 0 HD22 LEU A 19 -19.003 5.757 16.778 1.00 55.14 H new ATOM 0 HD23 LEU A 19 -19.602 6.649 18.197 1.00 55.14 H new ATOM 91 N ASP A 20 -18.967 7.779 12.955 1.00 14.54 N ATOM 92 CA ASP A 20 -19.034 7.060 11.701 1.00 64.23 C ATOM 93 C ASP A 20 -17.658 6.645 11.233 1.00 42.53 C ATOM 94 O ASP A 20 -17.446 5.485 10.863 1.00 74.35 O ATOM 95 CB ASP A 20 -19.748 7.865 10.623 1.00 43.13 C ATOM 96 CG ASP A 20 -19.783 7.131 9.301 1.00 23.21 C ATOM 97 OD1 ASP A 20 -20.478 6.091 9.205 1.00 64.13 O ATOM 98 OD2 ASP A 20 -19.136 7.589 8.339 1.00 13.12 O ATOM 0 H ASP A 20 -19.196 8.771 12.889 1.00 14.54 H new ATOM 0 HA ASP A 20 -19.620 6.159 11.882 1.00 64.23 H new ATOM 0 HB2 ASP A 20 -20.767 8.080 10.946 1.00 43.13 H new ATOM 0 HB3 ASP A 20 -19.245 8.823 10.493 1.00 43.13 H new ATOM 103 N VAL A 21 -16.708 7.558 11.301 1.00 52.15 N ATOM 104 CA VAL A 21 -15.367 7.265 10.860 1.00 31.13 C ATOM 105 C VAL A 21 -14.660 6.299 11.788 1.00 42.45 C ATOM 106 O VAL A 21 -13.889 5.459 11.314 1.00 34.13 O ATOM 107 CB VAL A 21 -14.489 8.522 10.585 1.00 45.23 C ATOM 108 CG1 VAL A 21 -15.157 9.401 9.559 1.00 2.04 C ATOM 109 CG2 VAL A 21 -14.179 9.310 11.854 1.00 5.42 C ATOM 0 H VAL A 21 -16.844 8.504 11.657 1.00 52.15 H new ATOM 0 HA VAL A 21 -15.498 6.780 9.893 1.00 31.13 H new ATOM 0 HB VAL A 21 -13.533 8.174 10.195 1.00 45.23 H new ATOM 0 HG11 VAL A 21 -14.537 10.278 9.372 1.00 2.04 H new ATOM 0 HG12 VAL A 21 -15.286 8.844 8.631 1.00 2.04 H new ATOM 0 HG13 VAL A 21 -16.131 9.718 9.931 1.00 2.04 H new ATOM 0 HG21 VAL A 21 -13.565 10.175 11.604 1.00 5.42 H new ATOM 0 HG22 VAL A 21 -15.110 9.646 12.310 1.00 5.42 H new ATOM 0 HG23 VAL A 21 -13.640 8.673 12.555 1.00 5.42 H new ATOM 119 N LYS A 22 -14.926 6.375 13.109 1.00 40.30 N ATOM 120 CA LYS A 22 -14.306 5.406 14.003 1.00 30.05 C ATOM 121 C LYS A 22 -14.918 4.040 13.755 1.00 21.24 C ATOM 122 O LYS A 22 -14.223 3.032 13.769 1.00 35.14 O ATOM 123 CB LYS A 22 -14.412 5.780 15.503 1.00 25.50 C ATOM 124 CG LYS A 22 -15.810 5.670 16.115 1.00 74.42 C ATOM 125 CD LYS A 22 -15.848 5.978 17.623 1.00 21.13 C ATOM 126 CE LYS A 22 -15.798 7.476 17.962 1.00 41.01 C ATOM 127 NZ LYS A 22 -14.551 8.166 17.553 1.00 13.03 N ATOM 0 H LYS A 22 -15.535 7.063 13.552 1.00 40.30 H new ATOM 0 HA LYS A 22 -13.240 5.399 13.776 1.00 30.05 H new ATOM 0 HB2 LYS A 22 -13.736 5.138 16.068 1.00 25.50 H new ATOM 0 HB3 LYS A 22 -14.059 6.803 15.630 1.00 25.50 H new ATOM 0 HG2 LYS A 22 -16.480 6.355 15.596 1.00 74.42 H new ATOM 0 HG3 LYS A 22 -16.192 4.663 15.948 1.00 74.42 H new ATOM 0 HD2 LYS A 22 -16.757 5.551 18.047 1.00 21.13 H new ATOM 0 HD3 LYS A 22 -15.007 5.480 18.105 1.00 21.13 H new ATOM 0 HE2 LYS A 22 -16.644 7.971 17.484 1.00 41.01 H new ATOM 0 HE3 LYS A 22 -15.926 7.595 19.038 1.00 41.01 H new ATOM 0 HZ1 LYS A 22 -14.599 9.166 17.836 1.00 13.03 H new ATOM 0 HZ2 LYS A 22 -13.736 7.714 18.015 1.00 13.03 H new ATOM 0 HZ3 LYS A 22 -14.442 8.103 16.521 1.00 13.03 H new ATOM 141 N GLY A 23 -16.217 4.033 13.450 1.00 40.25 N ATOM 142 CA GLY A 23 -16.915 2.795 13.211 1.00 74.40 C ATOM 143 C GLY A 23 -16.459 2.148 11.932 1.00 34.45 C ATOM 144 O GLY A 23 -16.254 0.951 11.877 1.00 43.14 O ATOM 0 H GLY A 23 -16.793 4.871 13.366 1.00 40.25 H new ATOM 0 HA2 GLY A 23 -16.748 2.114 14.045 1.00 74.40 H new ATOM 0 HA3 GLY A 23 -17.988 2.983 13.163 1.00 74.40 H new ATOM 148 N LEU A 24 -16.261 2.962 10.919 1.00 54.13 N ATOM 149 CA LEU A 24 -15.835 2.522 9.623 1.00 2.44 C ATOM 150 C LEU A 24 -14.399 2.008 9.700 1.00 62.43 C ATOM 151 O LEU A 24 -14.092 0.911 9.214 1.00 44.05 O ATOM 152 CB LEU A 24 -15.911 3.711 8.665 1.00 52.54 C ATOM 153 CG LEU A 24 -15.560 3.440 7.224 1.00 62.21 C ATOM 154 CD1 LEU A 24 -16.676 2.695 6.520 1.00 63.02 C ATOM 155 CD2 LEU A 24 -15.193 4.713 6.490 1.00 13.02 C ATOM 0 H LEU A 24 -16.397 3.971 10.982 1.00 54.13 H new ATOM 0 HA LEU A 24 -16.476 1.714 9.269 1.00 2.44 H new ATOM 0 HB2 LEU A 24 -16.924 4.112 8.699 1.00 52.54 H new ATOM 0 HB3 LEU A 24 -15.247 4.491 9.037 1.00 52.54 H new ATOM 0 HG LEU A 24 -14.678 2.799 7.216 1.00 62.21 H new ATOM 0 HD11 LEU A 24 -16.395 2.514 5.483 1.00 63.02 H new ATOM 0 HD12 LEU A 24 -16.850 1.743 7.021 1.00 63.02 H new ATOM 0 HD13 LEU A 24 -17.587 3.292 6.550 1.00 63.02 H new ATOM 0 HD21 LEU A 24 -14.946 4.478 5.455 1.00 13.02 H new ATOM 0 HD22 LEU A 24 -16.036 5.403 6.514 1.00 13.02 H new ATOM 0 HD23 LEU A 24 -14.332 5.176 6.972 1.00 13.02 H new ATOM 167 N GLY A 25 -13.538 2.798 10.336 1.00 53.44 N ATOM 168 CA GLY A 25 -12.153 2.438 10.466 1.00 72.41 C ATOM 169 C GLY A 25 -11.978 1.191 11.279 1.00 45.22 C ATOM 170 O GLY A 25 -11.168 0.322 10.928 1.00 5.11 O ATOM 0 H GLY A 25 -13.787 3.689 10.765 1.00 53.44 H new ATOM 0 HA2 GLY A 25 -11.721 2.291 9.476 1.00 72.41 H new ATOM 0 HA3 GLY A 25 -11.607 3.257 10.934 1.00 72.41 H new ATOM 174 N TYR A 26 -12.745 1.072 12.355 1.00 74.45 N ATOM 175 CA TYR A 26 -12.688 -0.113 13.154 1.00 54.44 C ATOM 176 C TYR A 26 -13.237 -1.301 12.403 1.00 44.10 C ATOM 177 O TYR A 26 -12.639 -2.338 12.444 1.00 63.22 O ATOM 178 CB TYR A 26 -13.393 0.023 14.517 1.00 35.30 C ATOM 179 CG TYR A 26 -13.390 -1.290 15.289 1.00 12.54 C ATOM 180 CD1 TYR A 26 -14.477 -2.163 15.222 1.00 43.10 C ATOM 181 CD2 TYR A 26 -12.281 -1.685 16.021 1.00 65.43 C ATOM 182 CE1 TYR A 26 -14.455 -3.381 15.853 1.00 72.02 C ATOM 183 CE2 TYR A 26 -12.259 -2.903 16.668 1.00 50.44 C ATOM 184 CZ TYR A 26 -13.347 -3.748 16.574 1.00 61.31 C ATOM 185 OH TYR A 26 -13.316 -4.977 17.195 1.00 44.32 O ATOM 0 H TYR A 26 -13.402 1.781 12.680 1.00 74.45 H new ATOM 0 HA TYR A 26 -11.630 -0.272 13.365 1.00 54.44 H new ATOM 0 HB2 TYR A 26 -12.897 0.793 15.108 1.00 35.30 H new ATOM 0 HB3 TYR A 26 -14.421 0.352 14.363 1.00 35.30 H new ATOM 0 HD1 TYR A 26 -15.354 -1.874 14.662 1.00 43.10 H new ATOM 0 HD2 TYR A 26 -11.424 -1.031 16.085 1.00 65.43 H new ATOM 0 HE1 TYR A 26 -15.303 -4.046 15.783 1.00 72.02 H new ATOM 0 HE2 TYR A 26 -11.394 -3.195 17.246 1.00 50.44 H new ATOM 0 HH TYR A 26 -13.560 -5.675 16.552 1.00 44.32 H new ATOM 195 N ASP A 27 -14.361 -1.134 11.706 1.00 13.03 N ATOM 196 CA ASP A 27 -15.010 -2.250 11.004 1.00 51.24 C ATOM 197 C ASP A 27 -14.052 -2.866 10.012 1.00 62.51 C ATOM 198 O ASP A 27 -13.869 -4.094 9.982 1.00 72.32 O ATOM 199 CB ASP A 27 -16.302 -1.791 10.319 1.00 44.24 C ATOM 200 CG ASP A 27 -17.110 -2.924 9.727 1.00 2.24 C ATOM 201 OD1 ASP A 27 -17.692 -3.724 10.496 1.00 32.34 O ATOM 202 OD2 ASP A 27 -17.263 -2.986 8.505 1.00 13.24 O ATOM 0 H ASP A 27 -14.843 -0.240 11.610 1.00 13.03 H new ATOM 0 HA ASP A 27 -15.282 -3.011 11.736 1.00 51.24 H new ATOM 0 HB2 ASP A 27 -16.917 -1.257 11.043 1.00 44.24 H new ATOM 0 HB3 ASP A 27 -16.052 -1.083 9.529 1.00 44.24 H new ATOM 207 N PHE A 28 -13.370 -1.993 9.289 1.00 43.15 N ATOM 208 CA PHE A 28 -12.338 -2.365 8.353 1.00 54.35 C ATOM 209 C PHE A 28 -11.186 -3.074 9.079 1.00 54.33 C ATOM 210 O PHE A 28 -10.837 -4.189 8.747 1.00 12.13 O ATOM 211 CB PHE A 28 -11.863 -1.085 7.647 1.00 11.01 C ATOM 212 CG PHE A 28 -10.592 -1.179 6.854 1.00 52.13 C ATOM 213 CD1 PHE A 28 -10.595 -1.516 5.505 1.00 4.11 C ATOM 214 CD2 PHE A 28 -9.388 -0.877 7.460 1.00 15.34 C ATOM 215 CE1 PHE A 28 -9.414 -1.545 4.790 1.00 34.32 C ATOM 216 CE2 PHE A 28 -8.215 -0.915 6.754 1.00 74.25 C ATOM 217 CZ PHE A 28 -8.225 -1.246 5.416 1.00 63.10 C ATOM 0 H PHE A 28 -13.526 -0.986 9.342 1.00 43.15 H new ATOM 0 HA PHE A 28 -12.722 -3.067 7.613 1.00 54.35 H new ATOM 0 HB2 PHE A 28 -12.657 -0.752 6.978 1.00 11.01 H new ATOM 0 HB3 PHE A 28 -11.736 -0.309 8.401 1.00 11.01 H new ATOM 0 HD1 PHE A 28 -11.526 -1.756 5.014 1.00 4.11 H new ATOM 0 HD2 PHE A 28 -9.371 -0.607 8.506 1.00 15.34 H new ATOM 0 HE1 PHE A 28 -9.423 -1.802 3.741 1.00 34.32 H new ATOM 0 HE2 PHE A 28 -7.281 -0.685 7.246 1.00 74.25 H new ATOM 0 HZ PHE A 28 -7.300 -1.271 4.859 1.00 63.10 H new ATOM 227 N ILE A 29 -10.637 -2.435 10.094 1.00 42.01 N ATOM 228 CA ILE A 29 -9.513 -2.992 10.853 1.00 30.24 C ATOM 229 C ILE A 29 -9.861 -4.323 11.522 1.00 42.44 C ATOM 230 O ILE A 29 -9.031 -5.239 11.574 1.00 12.23 O ATOM 231 CB ILE A 29 -8.944 -1.951 11.862 1.00 0.42 C ATOM 232 CG1 ILE A 29 -8.077 -0.918 11.138 1.00 42.44 C ATOM 233 CG2 ILE A 29 -8.186 -2.576 13.041 1.00 34.31 C ATOM 234 CD1 ILE A 29 -6.907 -1.522 10.382 1.00 40.40 C ATOM 0 H ILE A 29 -10.949 -1.521 10.421 1.00 42.01 H new ATOM 0 HA ILE A 29 -8.721 -3.216 10.138 1.00 30.24 H new ATOM 0 HB ILE A 29 -9.808 -1.452 12.301 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -8.700 -0.360 10.439 1.00 42.44 H new ATOM 0 HG13 ILE A 29 -7.696 -0.202 11.867 1.00 42.44 H new ATOM 0 HG21 ILE A 29 -7.821 -1.787 13.698 1.00 34.31 H new ATOM 0 HG22 ILE A 29 -8.856 -3.231 13.598 1.00 34.31 H new ATOM 0 HG23 ILE A 29 -7.342 -3.155 12.665 1.00 34.31 H new ATOM 0 HD11 ILE A 29 -6.340 -0.729 9.895 1.00 40.40 H new ATOM 0 HD12 ILE A 29 -6.260 -2.056 11.078 1.00 40.40 H new ATOM 0 HD13 ILE A 29 -7.280 -2.216 9.629 1.00 40.40 H new ATOM 246 N ASP A 30 -11.076 -4.438 11.971 1.00 23.15 N ATOM 247 CA ASP A 30 -11.569 -5.640 12.600 1.00 14.50 C ATOM 248 C ASP A 30 -11.605 -6.750 11.582 1.00 65.52 C ATOM 249 O ASP A 30 -11.022 -7.803 11.800 1.00 22.34 O ATOM 250 CB ASP A 30 -12.952 -5.369 13.211 1.00 62.14 C ATOM 251 CG ASP A 30 -13.578 -6.540 13.933 1.00 50.20 C ATOM 252 OD1 ASP A 30 -14.391 -7.253 13.317 1.00 71.04 O ATOM 253 OD2 ASP A 30 -13.334 -6.714 15.152 1.00 35.12 O ATOM 0 H ASP A 30 -11.768 -3.691 11.912 1.00 23.15 H new ATOM 0 HA ASP A 30 -10.908 -5.949 13.410 1.00 14.50 H new ATOM 0 HB2 ASP A 30 -12.866 -4.536 13.909 1.00 62.14 H new ATOM 0 HB3 ASP A 30 -13.626 -5.050 12.416 1.00 62.14 H new ATOM 258 N LEU A 31 -12.157 -6.472 10.409 1.00 23.52 N ATOM 259 CA LEU A 31 -12.250 -7.493 9.397 1.00 63.22 C ATOM 260 C LEU A 31 -10.890 -7.793 8.753 1.00 25.42 C ATOM 261 O LEU A 31 -10.710 -8.824 8.144 1.00 35.51 O ATOM 262 CB LEU A 31 -13.367 -7.201 8.374 1.00 51.15 C ATOM 263 CG LEU A 31 -13.277 -5.916 7.546 1.00 35.52 C ATOM 264 CD1 LEU A 31 -12.238 -6.025 6.451 1.00 22.10 C ATOM 265 CD2 LEU A 31 -14.630 -5.547 6.982 1.00 3.15 C ATOM 0 H LEU A 31 -12.538 -5.563 10.146 1.00 23.52 H new ATOM 0 HA LEU A 31 -12.548 -8.415 9.896 1.00 63.22 H new ATOM 0 HB2 LEU A 31 -13.410 -8.041 7.680 1.00 51.15 H new ATOM 0 HB3 LEU A 31 -14.314 -7.183 8.913 1.00 51.15 H new ATOM 0 HG LEU A 31 -12.956 -5.116 8.213 1.00 35.52 H new ATOM 0 HD11 LEU A 31 -12.205 -5.093 5.887 1.00 22.10 H new ATOM 0 HD12 LEU A 31 -11.261 -6.215 6.894 1.00 22.10 H new ATOM 0 HD13 LEU A 31 -12.499 -6.845 5.782 1.00 22.10 H new ATOM 0 HD21 LEU A 31 -14.543 -4.631 6.397 1.00 3.15 H new ATOM 0 HD22 LEU A 31 -14.990 -6.353 6.342 1.00 3.15 H new ATOM 0 HD23 LEU A 31 -15.334 -5.390 7.799 1.00 3.15 H new ATOM 277 N VAL A 32 -9.942 -6.876 8.887 1.00 65.33 N ATOM 278 CA VAL A 32 -8.594 -7.118 8.430 1.00 50.10 C ATOM 279 C VAL A 32 -7.884 -8.076 9.405 1.00 71.01 C ATOM 280 O VAL A 32 -7.053 -8.894 9.011 1.00 21.33 O ATOM 281 CB VAL A 32 -7.801 -5.772 8.269 1.00 61.15 C ATOM 282 CG1 VAL A 32 -6.311 -6.010 8.053 1.00 4.40 C ATOM 283 CG2 VAL A 32 -8.348 -4.987 7.086 1.00 20.03 C ATOM 0 H VAL A 32 -10.088 -5.959 9.310 1.00 65.33 H new ATOM 0 HA VAL A 32 -8.631 -7.586 7.446 1.00 50.10 H new ATOM 0 HB VAL A 32 -7.929 -5.209 9.194 1.00 61.15 H new ATOM 0 HG11 VAL A 32 -5.801 -5.052 7.947 1.00 4.40 H new ATOM 0 HG12 VAL A 32 -5.900 -6.547 8.908 1.00 4.40 H new ATOM 0 HG13 VAL A 32 -6.164 -6.601 7.149 1.00 4.40 H new ATOM 0 HG21 VAL A 32 -7.793 -4.055 6.980 1.00 20.03 H new ATOM 0 HG22 VAL A 32 -8.241 -5.578 6.176 1.00 20.03 H new ATOM 0 HG23 VAL A 32 -9.402 -4.765 7.253 1.00 20.03 H new ATOM 293 N THR A 33 -8.300 -8.046 10.660 1.00 10.23 N ATOM 294 CA THR A 33 -7.666 -8.848 11.688 1.00 31.21 C ATOM 295 C THR A 33 -8.579 -10.013 12.048 1.00 73.41 C ATOM 296 O THR A 33 -8.381 -10.712 13.050 1.00 54.51 O ATOM 297 CB THR A 33 -7.368 -7.970 12.925 1.00 40.14 C ATOM 298 OG1 THR A 33 -8.564 -7.273 13.322 1.00 2.40 O ATOM 299 CG2 THR A 33 -6.291 -6.948 12.593 1.00 41.54 C ATOM 0 H THR A 33 -9.076 -7.473 10.990 1.00 10.23 H new ATOM 0 HA THR A 33 -6.720 -9.247 11.321 1.00 31.21 H new ATOM 0 HB THR A 33 -7.024 -8.612 13.736 1.00 40.14 H new ATOM 0 HG1 THR A 33 -8.728 -6.528 12.706 1.00 2.40 H new ATOM 0 HG21 THR A 33 -6.088 -6.335 13.471 1.00 41.54 H new ATOM 0 HG22 THR A 33 -5.379 -7.465 12.293 1.00 41.54 H new ATOM 0 HG23 THR A 33 -6.633 -6.312 11.777 1.00 41.54 H new ATOM 307 N LYS A 34 -9.552 -10.196 11.162 1.00 61.31 N ATOM 308 CA LYS A 34 -10.635 -11.161 11.235 1.00 22.11 C ATOM 309 C LYS A 34 -10.189 -12.511 11.778 1.00 43.40 C ATOM 310 O LYS A 34 -9.252 -13.132 11.261 1.00 34.43 O ATOM 311 CB LYS A 34 -11.243 -11.340 9.845 1.00 32.40 C ATOM 312 CG LYS A 34 -12.645 -11.894 9.836 1.00 74.00 C ATOM 313 CD LYS A 34 -13.630 -10.881 10.397 1.00 21.04 C ATOM 314 CE LYS A 34 -15.024 -11.451 10.503 1.00 23.41 C ATOM 315 NZ LYS A 34 -15.088 -12.579 11.434 1.00 4.51 N ATOM 0 H LYS A 34 -9.605 -9.631 10.314 1.00 61.31 H new ATOM 0 HA LYS A 34 -11.375 -10.768 11.932 1.00 22.11 H new ATOM 0 HB2 LYS A 34 -11.245 -10.375 9.338 1.00 32.40 H new ATOM 0 HB3 LYS A 34 -10.601 -12.004 9.266 1.00 32.40 H new ATOM 0 HG2 LYS A 34 -12.929 -12.159 8.818 1.00 74.00 H new ATOM 0 HG3 LYS A 34 -12.683 -12.810 10.426 1.00 74.00 H new ATOM 0 HD2 LYS A 34 -13.295 -10.556 11.382 1.00 21.04 H new ATOM 0 HD3 LYS A 34 -13.646 -9.998 9.758 1.00 21.04 H new ATOM 0 HE2 LYS A 34 -15.710 -10.671 10.832 1.00 23.41 H new ATOM 0 HE3 LYS A 34 -15.359 -11.775 9.518 1.00 23.41 H new ATOM 0 HZ1 LYS A 34 -16.083 -12.820 11.620 1.00 4.51 H new ATOM 0 HZ2 LYS A 34 -14.605 -13.400 11.018 1.00 4.51 H new ATOM 0 HZ3 LYS A 34 -14.622 -12.319 12.327 1.00 4.51 H new ATOM 329 N SER A 35 -10.861 -12.930 12.826 1.00 64.40 N ATOM 330 CA SER A 35 -10.613 -14.173 13.519 1.00 60.43 C ATOM 331 C SER A 35 -10.629 -15.394 12.553 1.00 43.21 C ATOM 332 O SER A 35 -11.403 -15.424 11.576 1.00 50.14 O ATOM 333 CB SER A 35 -11.707 -14.331 14.563 1.00 1.22 C ATOM 334 OG SER A 35 -11.942 -13.086 15.224 1.00 64.43 O ATOM 0 H SER A 35 -11.626 -12.393 13.235 1.00 64.40 H new ATOM 0 HA SER A 35 -9.623 -14.143 13.973 1.00 60.43 H new ATOM 0 HB2 SER A 35 -12.625 -14.678 14.089 1.00 1.22 H new ATOM 0 HB3 SER A 35 -11.418 -15.089 15.291 1.00 1.22 H new ATOM 0 HG SER A 35 -12.649 -13.199 15.893 1.00 64.43 H new ATOM 340 N PRO A 36 -9.799 -16.432 12.836 1.00 14.54 N ATOM 341 CA PRO A 36 -9.709 -17.665 12.006 1.00 73.41 C ATOM 342 C PRO A 36 -11.011 -18.481 12.017 1.00 24.20 C ATOM 343 O PRO A 36 -11.158 -19.466 11.287 1.00 50.31 O ATOM 344 CB PRO A 36 -8.568 -18.457 12.659 1.00 12.55 C ATOM 345 CG PRO A 36 -8.476 -17.928 14.048 1.00 62.15 C ATOM 346 CD PRO A 36 -8.858 -16.483 13.974 1.00 53.35 C ATOM 0 HA PRO A 36 -9.535 -17.433 10.955 1.00 73.41 H new ATOM 0 HB2 PRO A 36 -8.779 -19.526 12.657 1.00 12.55 H new ATOM 0 HB3 PRO A 36 -7.631 -18.316 12.120 1.00 12.55 H new ATOM 0 HG2 PRO A 36 -9.143 -18.473 14.716 1.00 62.15 H new ATOM 0 HG3 PRO A 36 -7.466 -18.043 14.442 1.00 62.15 H new ATOM 0 HD2 PRO A 36 -9.327 -16.144 14.898 1.00 53.35 H new ATOM 0 HD3 PRO A 36 -7.989 -15.846 13.805 1.00 53.35 H new ATOM 354 N ASP A 37 -11.934 -18.063 12.869 1.00 75.35 N ATOM 355 CA ASP A 37 -13.278 -18.648 12.954 1.00 22.31 C ATOM 356 C ASP A 37 -14.048 -18.395 11.660 1.00 11.14 C ATOM 357 O ASP A 37 -14.907 -19.175 11.269 1.00 71.42 O ATOM 358 CB ASP A 37 -14.031 -18.025 14.138 1.00 4.13 C ATOM 359 CG ASP A 37 -15.495 -18.422 14.215 1.00 60.43 C ATOM 360 OD1 ASP A 37 -16.374 -17.590 13.902 1.00 24.52 O ATOM 361 OD2 ASP A 37 -15.793 -19.539 14.636 1.00 63.23 O ATOM 0 H ASP A 37 -11.777 -17.302 13.530 1.00 75.35 H new ATOM 0 HA ASP A 37 -13.190 -19.724 13.103 1.00 22.31 H new ATOM 0 HB2 ASP A 37 -13.536 -18.317 15.064 1.00 4.13 H new ATOM 0 HB3 ASP A 37 -13.962 -16.939 14.069 1.00 4.13 H new ATOM 366 N SER A 38 -13.693 -17.330 10.982 1.00 72.11 N ATOM 367 CA SER A 38 -14.306 -16.994 9.727 1.00 34.13 C ATOM 368 C SER A 38 -13.397 -17.383 8.561 1.00 42.23 C ATOM 369 O SER A 38 -12.215 -17.683 8.781 1.00 34.01 O ATOM 370 CB SER A 38 -14.703 -15.528 9.718 1.00 22.31 C ATOM 371 OG SER A 38 -13.714 -14.711 10.337 1.00 71.21 O ATOM 0 H SER A 38 -12.972 -16.676 11.287 1.00 72.11 H new ATOM 0 HA SER A 38 -15.223 -17.569 9.600 1.00 34.13 H new ATOM 0 HB2 SER A 38 -14.856 -15.199 8.690 1.00 22.31 H new ATOM 0 HB3 SER A 38 -15.654 -15.405 10.237 1.00 22.31 H new ATOM 0 HG SER A 38 -12.836 -14.911 9.951 1.00 71.21 H new ATOM 377 N VAL A 39 -13.930 -17.364 7.337 1.00 71.35 N ATOM 378 CA VAL A 39 -13.196 -17.877 6.181 1.00 63.43 C ATOM 379 C VAL A 39 -11.920 -17.119 5.874 1.00 22.23 C ATOM 380 O VAL A 39 -10.834 -17.722 5.865 1.00 41.43 O ATOM 381 CB VAL A 39 -14.075 -17.907 4.900 1.00 21.43 C ATOM 382 CG1 VAL A 39 -13.261 -18.331 3.665 1.00 23.33 C ATOM 383 CG2 VAL A 39 -15.264 -18.826 5.087 1.00 41.53 C ATOM 0 H VAL A 39 -14.859 -17.002 7.123 1.00 71.35 H new ATOM 0 HA VAL A 39 -12.921 -18.891 6.469 1.00 63.43 H new ATOM 0 HB VAL A 39 -14.438 -16.894 4.729 1.00 21.43 H new ATOM 0 HG11 VAL A 39 -13.909 -18.341 2.788 1.00 23.33 H new ATOM 0 HG12 VAL A 39 -12.446 -17.625 3.506 1.00 23.33 H new ATOM 0 HG13 VAL A 39 -12.851 -19.328 3.824 1.00 23.33 H new ATOM 0 HG21 VAL A 39 -15.866 -18.832 4.178 1.00 41.53 H new ATOM 0 HG22 VAL A 39 -14.913 -19.837 5.297 1.00 41.53 H new ATOM 0 HG23 VAL A 39 -15.870 -18.472 5.921 1.00 41.53 H new ATOM 393 N ASN A 40 -12.013 -15.812 5.698 1.00 34.30 N ATOM 394 CA ASN A 40 -10.848 -15.074 5.251 1.00 51.33 C ATOM 395 C ASN A 40 -11.103 -13.569 5.323 1.00 43.34 C ATOM 396 O ASN A 40 -12.182 -13.095 4.922 1.00 15.42 O ATOM 397 CB ASN A 40 -10.540 -15.481 3.812 1.00 42.13 C ATOM 398 CG ASN A 40 -9.213 -15.013 3.362 1.00 30.24 C ATOM 399 OD1 ASN A 40 -8.284 -14.913 4.154 1.00 33.42 O ATOM 400 ND2 ASN A 40 -9.095 -14.773 2.101 1.00 64.10 N ATOM 0 H ASN A 40 -12.854 -15.256 5.852 1.00 34.30 H new ATOM 0 HA ASN A 40 -10.001 -15.304 5.898 1.00 51.33 H new ATOM 0 HB2 ASN A 40 -10.586 -16.567 3.727 1.00 42.13 H new ATOM 0 HB3 ASN A 40 -11.307 -15.077 3.152 1.00 42.13 H new ATOM 0 HD21 ASN A 40 -8.194 -14.484 1.719 1.00 64.10 H new ATOM 0 HD22 ASN A 40 -9.902 -14.872 1.485 1.00 64.10 H new ATOM 407 N SER A 41 -10.101 -12.824 5.751 1.00 70.13 N ATOM 408 CA SER A 41 -10.233 -11.404 6.029 1.00 32.31 C ATOM 409 C SER A 41 -10.584 -10.615 4.776 1.00 3.31 C ATOM 410 O SER A 41 -11.479 -9.751 4.796 1.00 53.30 O ATOM 411 CB SER A 41 -8.936 -10.887 6.624 1.00 14.32 C ATOM 412 OG SER A 41 -8.568 -11.633 7.786 1.00 51.41 O ATOM 0 H SER A 41 -9.164 -13.190 5.917 1.00 70.13 H new ATOM 0 HA SER A 41 -11.049 -11.269 6.739 1.00 32.31 H new ATOM 0 HB2 SER A 41 -8.141 -10.950 5.881 1.00 14.32 H new ATOM 0 HB3 SER A 41 -9.046 -9.834 6.884 1.00 14.32 H new ATOM 0 HG SER A 41 -8.211 -11.024 8.466 1.00 51.41 H new ATOM 418 N GLU A 42 -9.925 -10.946 3.678 1.00 13.05 N ATOM 419 CA GLU A 42 -10.136 -10.270 2.417 1.00 53.13 C ATOM 420 C GLU A 42 -11.552 -10.464 1.914 1.00 33.35 C ATOM 421 O GLU A 42 -12.016 -9.685 1.100 1.00 10.12 O ATOM 422 CB GLU A 42 -9.179 -10.726 1.323 1.00 12.14 C ATOM 423 CG GLU A 42 -7.719 -10.772 1.678 1.00 35.00 C ATOM 424 CD GLU A 42 -7.394 -12.065 2.345 1.00 61.03 C ATOM 425 OE1 GLU A 42 -7.526 -12.145 3.570 1.00 22.33 O ATOM 426 OE2 GLU A 42 -7.096 -13.042 1.625 1.00 21.33 O ATOM 0 H GLU A 42 -9.230 -11.691 3.640 1.00 13.05 H new ATOM 0 HA GLU A 42 -9.947 -9.217 2.627 1.00 53.13 H new ATOM 0 HB2 GLU A 42 -9.482 -11.722 1.000 1.00 12.14 H new ATOM 0 HB3 GLU A 42 -9.300 -10.062 0.467 1.00 12.14 H new ATOM 0 HG2 GLU A 42 -7.114 -10.656 0.779 1.00 35.00 H new ATOM 0 HG3 GLU A 42 -7.471 -9.941 2.338 1.00 35.00 H new ATOM 433 N HIS A 43 -12.251 -11.497 2.394 1.00 31.43 N ATOM 434 CA HIS A 43 -13.602 -11.730 1.931 1.00 4.50 C ATOM 435 C HIS A 43 -14.501 -10.633 2.469 1.00 55.55 C ATOM 436 O HIS A 43 -15.245 -9.979 1.719 1.00 73.25 O ATOM 437 CB HIS A 43 -14.116 -13.111 2.366 1.00 13.41 C ATOM 438 CG HIS A 43 -15.517 -13.409 1.904 1.00 72.32 C ATOM 439 ND1 HIS A 43 -16.628 -13.306 2.709 1.00 4.23 N ATOM 440 CD2 HIS A 43 -15.970 -13.820 0.696 1.00 13.03 C ATOM 441 CE1 HIS A 43 -17.692 -13.648 1.995 1.00 14.53 C ATOM 442 NE2 HIS A 43 -17.352 -13.974 0.753 1.00 2.24 N ATOM 0 H HIS A 43 -11.906 -12.164 3.085 1.00 31.43 H new ATOM 0 HA HIS A 43 -13.609 -11.713 0.841 1.00 4.50 H new ATOM 0 HB2 HIS A 43 -13.445 -13.877 1.978 1.00 13.41 H new ATOM 0 HB3 HIS A 43 -14.080 -13.176 3.453 1.00 13.41 H new ATOM 0 HD1 HIS A 43 -16.633 -13.016 3.687 1.00 4.23 H new ATOM 0 HD2 HIS A 43 -15.356 -14.000 -0.174 1.00 13.03 H new ATOM 0 HE1 HIS A 43 -18.703 -13.660 2.374 1.00 14.53 H new ATOM 450 N GLU A 44 -14.353 -10.371 3.750 1.00 73.13 N ATOM 451 CA GLU A 44 -15.135 -9.393 4.419 1.00 34.11 C ATOM 452 C GLU A 44 -14.688 -8.033 3.937 1.00 41.01 C ATOM 453 O GLU A 44 -15.487 -7.112 3.810 1.00 45.41 O ATOM 454 CB GLU A 44 -14.915 -9.536 5.904 1.00 35.12 C ATOM 455 CG GLU A 44 -15.038 -10.973 6.393 1.00 55.34 C ATOM 456 CD GLU A 44 -16.404 -11.585 6.176 1.00 2.31 C ATOM 457 OE1 GLU A 44 -16.580 -12.355 5.214 1.00 43.52 O ATOM 458 OE2 GLU A 44 -17.314 -11.352 7.001 1.00 24.32 O ATOM 0 H GLU A 44 -13.676 -10.844 4.349 1.00 73.13 H new ATOM 0 HA GLU A 44 -16.198 -9.518 4.211 1.00 34.11 H new ATOM 0 HB2 GLU A 44 -13.925 -9.157 6.156 1.00 35.12 H new ATOM 0 HB3 GLU A 44 -15.638 -8.916 6.433 1.00 35.12 H new ATOM 0 HG2 GLU A 44 -14.293 -11.584 5.883 1.00 55.34 H new ATOM 0 HG3 GLU A 44 -14.802 -11.005 7.457 1.00 55.34 H new ATOM 465 N LEU A 45 -13.403 -7.933 3.612 1.00 53.31 N ATOM 466 CA LEU A 45 -12.859 -6.733 3.084 1.00 63.32 C ATOM 467 C LEU A 45 -13.463 -6.441 1.728 1.00 64.21 C ATOM 468 O LEU A 45 -13.897 -5.355 1.504 1.00 70.50 O ATOM 469 CB LEU A 45 -11.340 -6.794 2.991 1.00 72.34 C ATOM 470 CG LEU A 45 -10.674 -5.517 2.490 1.00 75.55 C ATOM 471 CD1 LEU A 45 -10.981 -4.353 3.407 1.00 32.32 C ATOM 472 CD2 LEU A 45 -9.178 -5.707 2.316 1.00 52.11 C ATOM 0 H LEU A 45 -12.729 -8.692 3.715 1.00 53.31 H new ATOM 0 HA LEU A 45 -13.110 -5.923 3.769 1.00 63.32 H new ATOM 0 HB2 LEU A 45 -10.940 -7.032 3.976 1.00 72.34 H new ATOM 0 HB3 LEU A 45 -11.064 -7.614 2.328 1.00 72.34 H new ATOM 0 HG LEU A 45 -11.088 -5.285 1.509 1.00 75.55 H new ATOM 0 HD11 LEU A 45 -10.495 -3.454 3.029 1.00 32.32 H new ATOM 0 HD12 LEU A 45 -12.059 -4.194 3.445 1.00 32.32 H new ATOM 0 HD13 LEU A 45 -10.611 -4.571 4.409 1.00 32.32 H new ATOM 0 HD21 LEU A 45 -8.733 -4.779 1.958 1.00 52.11 H new ATOM 0 HD22 LEU A 45 -8.732 -5.978 3.273 1.00 52.11 H new ATOM 0 HD23 LEU A 45 -8.994 -6.501 1.592 1.00 52.11 H new ATOM 484 N ALA A 46 -13.531 -7.449 0.855 1.00 22.33 N ATOM 485 CA ALA A 46 -14.124 -7.305 -0.483 1.00 65.42 C ATOM 486 C ALA A 46 -15.602 -6.943 -0.376 1.00 24.13 C ATOM 487 O ALA A 46 -16.160 -6.226 -1.214 1.00 24.55 O ATOM 488 CB ALA A 46 -13.946 -8.589 -1.288 1.00 24.14 C ATOM 0 H ALA A 46 -13.179 -8.386 1.052 1.00 22.33 H new ATOM 0 HA ALA A 46 -13.608 -6.498 -1.003 1.00 65.42 H new ATOM 0 HB1 ALA A 46 -14.391 -8.464 -2.275 1.00 24.14 H new ATOM 0 HB2 ALA A 46 -12.883 -8.808 -1.394 1.00 24.14 H new ATOM 0 HB3 ALA A 46 -14.436 -9.414 -0.771 1.00 24.14 H new ATOM 494 N HIS A 47 -16.201 -7.422 0.674 1.00 64.31 N ATOM 495 CA HIS A 47 -17.599 -7.153 0.988 1.00 24.25 C ATOM 496 C HIS A 47 -17.772 -5.697 1.488 1.00 71.33 C ATOM 497 O HIS A 47 -18.768 -5.037 1.190 1.00 3.21 O ATOM 498 CB HIS A 47 -18.089 -8.170 2.045 1.00 55.11 C ATOM 499 CG HIS A 47 -19.549 -8.089 2.403 1.00 51.13 C ATOM 500 ND1 HIS A 47 -20.531 -8.812 1.768 1.00 1.14 N ATOM 501 CD2 HIS A 47 -20.175 -7.385 3.376 1.00 74.22 C ATOM 502 CE1 HIS A 47 -21.694 -8.542 2.352 1.00 24.15 C ATOM 503 NE2 HIS A 47 -21.537 -7.674 3.343 1.00 41.12 N ATOM 0 H HIS A 47 -15.736 -8.022 1.356 1.00 64.31 H new ATOM 0 HA HIS A 47 -18.203 -7.264 0.087 1.00 24.25 H new ATOM 0 HB2 HIS A 47 -17.879 -9.175 1.680 1.00 55.11 H new ATOM 0 HB3 HIS A 47 -17.503 -8.032 2.954 1.00 55.11 H new ATOM 0 HD2 HIS A 47 -19.695 -6.708 4.067 1.00 74.22 H new ATOM 0 HE1 HIS A 47 -22.640 -8.972 2.059 1.00 24.15 H new ATOM 0 HE2 HIS A 47 -22.262 -7.297 3.953 1.00 41.12 H new ATOM 511 N PHE A 48 -16.773 -5.204 2.209 1.00 71.40 N ATOM 512 CA PHE A 48 -16.760 -3.850 2.774 1.00 64.22 C ATOM 513 C PHE A 48 -16.355 -2.872 1.676 1.00 41.21 C ATOM 514 O PHE A 48 -16.722 -1.700 1.669 1.00 1.20 O ATOM 515 CB PHE A 48 -15.729 -3.853 3.925 1.00 34.03 C ATOM 516 CG PHE A 48 -15.421 -2.534 4.564 1.00 61.22 C ATOM 517 CD1 PHE A 48 -14.379 -1.761 4.093 1.00 41.12 C ATOM 518 CD2 PHE A 48 -16.148 -2.083 5.645 1.00 41.32 C ATOM 519 CE1 PHE A 48 -14.071 -0.557 4.684 1.00 44.21 C ATOM 520 CE2 PHE A 48 -15.848 -0.880 6.241 1.00 44.40 C ATOM 521 CZ PHE A 48 -14.807 -0.115 5.759 1.00 64.31 C ATOM 0 H PHE A 48 -15.932 -5.739 2.424 1.00 71.40 H new ATOM 0 HA PHE A 48 -17.736 -3.550 3.155 1.00 64.22 H new ATOM 0 HB2 PHE A 48 -16.089 -4.530 4.700 1.00 34.03 H new ATOM 0 HB3 PHE A 48 -14.797 -4.271 3.544 1.00 34.03 H new ATOM 0 HD1 PHE A 48 -13.798 -2.105 3.250 1.00 41.12 H new ATOM 0 HD2 PHE A 48 -16.962 -2.681 6.028 1.00 41.32 H new ATOM 0 HE1 PHE A 48 -13.254 0.039 4.305 1.00 44.21 H new ATOM 0 HE2 PHE A 48 -16.427 -0.535 7.085 1.00 44.40 H new ATOM 0 HZ PHE A 48 -14.570 0.830 6.225 1.00 64.31 H new ATOM 531 N LEU A 49 -15.621 -3.418 0.767 1.00 53.11 N ATOM 532 CA LEU A 49 -15.046 -2.783 -0.385 1.00 24.25 C ATOM 533 C LEU A 49 -16.104 -2.405 -1.395 1.00 21.40 C ATOM 534 O LEU A 49 -15.931 -1.468 -2.116 1.00 12.04 O ATOM 535 CB LEU A 49 -14.163 -3.821 -0.985 1.00 32.14 C ATOM 536 CG LEU A 49 -13.323 -3.494 -2.154 1.00 24.13 C ATOM 537 CD1 LEU A 49 -12.245 -2.525 -1.741 1.00 23.50 C ATOM 538 CD2 LEU A 49 -12.752 -4.789 -2.656 1.00 51.14 C ATOM 0 H LEU A 49 -15.383 -4.409 0.809 1.00 53.11 H new ATOM 0 HA LEU A 49 -14.523 -1.868 -0.108 1.00 24.25 H new ATOM 0 HB2 LEU A 49 -13.498 -4.174 -0.197 1.00 32.14 H new ATOM 0 HB3 LEU A 49 -14.797 -4.661 -1.267 1.00 32.14 H new ATOM 0 HG LEU A 49 -13.895 -3.015 -2.949 1.00 24.13 H new ATOM 0 HD11 LEU A 49 -11.624 -2.283 -2.603 1.00 23.50 H new ATOM 0 HD12 LEU A 49 -12.703 -1.614 -1.356 1.00 23.50 H new ATOM 0 HD13 LEU A 49 -11.628 -2.977 -0.965 1.00 23.50 H new ATOM 0 HD21 LEU A 49 -12.121 -4.596 -3.524 1.00 51.14 H new ATOM 0 HD22 LEU A 49 -12.156 -5.253 -1.870 1.00 51.14 H new ATOM 0 HD23 LEU A 49 -13.564 -5.459 -2.939 1.00 51.14 H new ATOM 550 N GLY A 50 -17.178 -3.175 -1.425 1.00 30.11 N ATOM 551 CA GLY A 50 -18.304 -2.969 -2.357 1.00 45.42 C ATOM 552 C GLY A 50 -18.688 -1.497 -2.626 1.00 11.45 C ATOM 553 O GLY A 50 -18.730 -1.074 -3.783 1.00 31.34 O ATOM 0 H GLY A 50 -17.307 -3.972 -0.802 1.00 30.11 H new ATOM 0 HA2 GLY A 50 -18.056 -3.440 -3.308 1.00 45.42 H new ATOM 0 HA3 GLY A 50 -19.178 -3.487 -1.963 1.00 45.42 H new ATOM 557 N PRO A 51 -19.001 -0.695 -1.600 1.00 24.21 N ATOM 558 CA PRO A 51 -19.310 0.721 -1.786 1.00 53.01 C ATOM 559 C PRO A 51 -18.060 1.604 -1.996 1.00 23.43 C ATOM 560 O PRO A 51 -18.182 2.784 -2.311 1.00 4.20 O ATOM 561 CB PRO A 51 -20.007 1.120 -0.468 1.00 45.10 C ATOM 562 CG PRO A 51 -20.245 -0.158 0.265 1.00 54.23 C ATOM 563 CD PRO A 51 -19.178 -1.093 -0.199 1.00 3.50 C ATOM 0 HA PRO A 51 -19.913 0.868 -2.682 1.00 53.01 H new ATOM 0 HB2 PRO A 51 -19.383 1.796 0.116 1.00 45.10 H new ATOM 0 HB3 PRO A 51 -20.945 1.640 -0.663 1.00 45.10 H new ATOM 0 HG2 PRO A 51 -20.192 -0.007 1.343 1.00 54.23 H new ATOM 0 HG3 PRO A 51 -21.236 -0.556 0.047 1.00 54.23 H new ATOM 0 HD2 PRO A 51 -18.259 -0.978 0.376 1.00 3.50 H new ATOM 0 HD3 PRO A 51 -19.483 -2.135 -0.108 1.00 3.50 H new ATOM 571 N HIS A 52 -16.872 1.038 -1.871 1.00 23.53 N ATOM 572 CA HIS A 52 -15.658 1.850 -1.835 1.00 72.53 C ATOM 573 C HIS A 52 -14.580 1.291 -2.756 1.00 43.42 C ATOM 574 O HIS A 52 -13.410 1.577 -2.536 1.00 64.30 O ATOM 575 CB HIS A 52 -15.062 1.876 -0.405 1.00 31.55 C ATOM 576 CG HIS A 52 -15.996 2.248 0.710 1.00 54.43 C ATOM 577 ND1 HIS A 52 -16.365 3.530 1.025 1.00 51.33 N ATOM 578 CD2 HIS A 52 -16.611 1.459 1.609 1.00 62.21 C ATOM 579 CE1 HIS A 52 -17.174 3.482 2.087 1.00 4.14 C ATOM 580 NE2 HIS A 52 -17.355 2.240 2.479 1.00 72.34 N ATOM 0 H HIS A 52 -16.718 0.033 -1.793 1.00 23.53 H new ATOM 0 HA HIS A 52 -15.946 2.850 -2.160 1.00 72.53 H new ATOM 0 HB2 HIS A 52 -14.652 0.889 -0.190 1.00 31.55 H new ATOM 0 HB3 HIS A 52 -14.227 2.577 -0.397 1.00 31.55 H new ATOM 0 HD1 HIS A 52 -16.072 4.375 0.534 1.00 51.33 H new ATOM 0 HD2 HIS A 52 -16.536 0.382 1.647 1.00 62.21 H new ATOM 0 HE1 HIS A 52 -17.619 4.346 2.559 1.00 4.14 H new ATOM 588 N ASP A 53 -14.975 0.543 -3.792 1.00 14.24 N ATOM 589 CA ASP A 53 -14.028 -0.107 -4.727 1.00 54.15 C ATOM 590 C ASP A 53 -13.072 0.908 -5.368 1.00 73.43 C ATOM 591 O ASP A 53 -13.489 1.722 -6.205 1.00 60.24 O ATOM 592 CB ASP A 53 -14.780 -0.841 -5.845 1.00 73.44 C ATOM 593 CG ASP A 53 -15.505 -2.106 -5.427 1.00 33.31 C ATOM 594 OD1 ASP A 53 -16.743 -2.159 -5.569 1.00 72.35 O ATOM 595 OD2 ASP A 53 -14.853 -3.083 -5.011 1.00 25.33 O ATOM 0 H ASP A 53 -15.955 0.367 -4.012 1.00 14.24 H new ATOM 0 HA ASP A 53 -13.449 -0.818 -4.138 1.00 54.15 H new ATOM 0 HB2 ASP A 53 -15.506 -0.155 -6.281 1.00 73.44 H new ATOM 0 HB3 ASP A 53 -14.069 -1.094 -6.631 1.00 73.44 H new ATOM 600 N PRO A 54 -11.788 0.905 -4.957 1.00 23.24 N ATOM 601 CA PRO A 54 -10.790 1.826 -5.437 1.00 72.23 C ATOM 602 C PRO A 54 -9.746 1.137 -6.339 1.00 3.41 C ATOM 603 O PRO A 54 -9.990 0.050 -6.889 1.00 14.35 O ATOM 604 CB PRO A 54 -10.149 2.198 -4.110 1.00 23.12 C ATOM 605 CG PRO A 54 -10.078 0.890 -3.366 1.00 41.51 C ATOM 606 CD PRO A 54 -11.196 0.027 -3.931 1.00 51.54 C ATOM 0 HA PRO A 54 -11.184 2.643 -6.041 1.00 72.23 H new ATOM 0 HB2 PRO A 54 -9.159 2.632 -4.252 1.00 23.12 H new ATOM 0 HB3 PRO A 54 -10.745 2.934 -3.570 1.00 23.12 H new ATOM 0 HG2 PRO A 54 -9.108 0.413 -3.506 1.00 41.51 H new ATOM 0 HG3 PRO A 54 -10.206 1.043 -2.294 1.00 41.51 H new ATOM 0 HD2 PRO A 54 -10.816 -0.900 -4.360 1.00 51.54 H new ATOM 0 HD3 PRO A 54 -11.921 -0.250 -3.166 1.00 51.54 H new ATOM 614 N GLU A 55 -8.594 1.760 -6.476 1.00 31.21 N ATOM 615 CA GLU A 55 -7.513 1.186 -7.223 1.00 34.14 C ATOM 616 C GLU A 55 -6.724 0.303 -6.303 1.00 1.21 C ATOM 617 O GLU A 55 -6.403 0.703 -5.176 1.00 44.43 O ATOM 618 CB GLU A 55 -6.582 2.253 -7.834 1.00 13.40 C ATOM 619 CG GLU A 55 -7.204 3.182 -8.881 1.00 43.41 C ATOM 620 CD GLU A 55 -8.144 4.208 -8.307 1.00 1.40 C ATOM 621 OE1 GLU A 55 -7.677 5.292 -7.898 1.00 43.31 O ATOM 622 OE2 GLU A 55 -9.363 3.967 -8.269 1.00 4.35 O ATOM 0 H GLU A 55 -8.389 2.674 -6.072 1.00 31.21 H new ATOM 0 HA GLU A 55 -7.936 0.620 -8.053 1.00 34.14 H new ATOM 0 HB2 GLU A 55 -6.188 2.867 -7.024 1.00 13.40 H new ATOM 0 HB3 GLU A 55 -5.733 1.744 -8.290 1.00 13.40 H new ATOM 0 HG2 GLU A 55 -6.405 3.695 -9.417 1.00 43.41 H new ATOM 0 HG3 GLU A 55 -7.743 2.579 -9.612 1.00 43.41 H new ATOM 629 N ILE A 56 -6.455 -0.884 -6.734 1.00 43.45 N ATOM 630 CA ILE A 56 -5.671 -1.792 -5.961 1.00 31.03 C ATOM 631 C ILE A 56 -4.330 -1.934 -6.638 1.00 51.02 C ATOM 632 O ILE A 56 -4.251 -2.414 -7.727 1.00 22.23 O ATOM 633 CB ILE A 56 -6.334 -3.205 -5.814 1.00 23.24 C ATOM 634 CG1 ILE A 56 -7.702 -3.132 -5.105 1.00 32.10 C ATOM 635 CG2 ILE A 56 -5.416 -4.160 -5.080 1.00 75.34 C ATOM 636 CD1 ILE A 56 -8.901 -3.205 -6.036 1.00 32.14 C ATOM 0 H ILE A 56 -6.771 -1.253 -7.631 1.00 43.45 H new ATOM 0 HA ILE A 56 -5.577 -1.388 -4.953 1.00 31.03 H new ATOM 0 HB ILE A 56 -6.503 -3.582 -6.823 1.00 23.24 H new ATOM 0 HG12 ILE A 56 -7.767 -3.948 -4.385 1.00 32.10 H new ATOM 0 HG13 ILE A 56 -7.754 -2.202 -4.539 1.00 32.10 H new ATOM 0 HG21 ILE A 56 -5.899 -5.133 -4.991 1.00 75.34 H new ATOM 0 HG22 ILE A 56 -4.484 -4.267 -5.635 1.00 75.34 H new ATOM 0 HG23 ILE A 56 -5.204 -3.768 -4.085 1.00 75.34 H new ATOM 0 HD11 ILE A 56 -9.819 -3.146 -5.452 1.00 32.14 H new ATOM 0 HD12 ILE A 56 -8.866 -2.374 -6.741 1.00 32.14 H new ATOM 0 HD13 ILE A 56 -8.879 -4.147 -6.584 1.00 32.14 H new ATOM 648 N TYR A 57 -3.311 -1.472 -6.029 1.00 64.34 N ATOM 649 CA TYR A 57 -2.005 -1.586 -6.588 1.00 63.23 C ATOM 650 C TYR A 57 -1.377 -2.822 -6.067 1.00 4.23 C ATOM 651 O TYR A 57 -1.482 -3.105 -4.924 1.00 13.04 O ATOM 652 CB TYR A 57 -1.161 -0.355 -6.259 1.00 34.13 C ATOM 653 CG TYR A 57 -1.642 0.892 -6.963 1.00 25.32 C ATOM 654 CD1 TYR A 57 -2.700 1.642 -6.461 1.00 62.02 C ATOM 655 CD2 TYR A 57 -1.057 1.305 -8.144 1.00 1.42 C ATOM 656 CE1 TYR A 57 -3.155 2.762 -7.123 1.00 14.14 C ATOM 657 CE2 TYR A 57 -1.504 2.429 -8.806 1.00 75.53 C ATOM 658 CZ TYR A 57 -2.551 3.150 -8.294 1.00 43.24 C ATOM 659 OH TYR A 57 -3.004 4.263 -8.964 1.00 24.33 O ATOM 0 H TYR A 57 -3.348 -1.001 -5.125 1.00 64.34 H new ATOM 0 HA TYR A 57 -2.073 -1.644 -7.674 1.00 63.23 H new ATOM 0 HB2 TYR A 57 -1.176 -0.187 -5.182 1.00 34.13 H new ATOM 0 HB3 TYR A 57 -0.125 -0.546 -6.537 1.00 34.13 H new ATOM 0 HD1 TYR A 57 -3.173 1.342 -5.537 1.00 62.02 H new ATOM 0 HD2 TYR A 57 -0.235 0.738 -8.556 1.00 1.42 H new ATOM 0 HE1 TYR A 57 -3.981 3.331 -6.723 1.00 14.14 H new ATOM 0 HE2 TYR A 57 -1.030 2.740 -9.725 1.00 75.53 H new ATOM 0 HH TYR A 57 -2.467 4.399 -9.773 1.00 24.33 H new ATOM 669 N VAL A 58 -0.790 -3.579 -6.914 1.00 13.02 N ATOM 670 CA VAL A 58 -0.129 -4.787 -6.517 1.00 21.13 C ATOM 671 C VAL A 58 1.221 -4.804 -7.146 1.00 62.50 C ATOM 672 O VAL A 58 1.336 -4.737 -8.369 1.00 31.21 O ATOM 673 CB VAL A 58 -0.936 -6.060 -6.899 1.00 53.33 C ATOM 674 CG1 VAL A 58 -0.116 -7.332 -6.734 1.00 4.03 C ATOM 675 CG2 VAL A 58 -2.191 -6.164 -6.066 1.00 42.25 C ATOM 0 H VAL A 58 -0.748 -3.386 -7.915 1.00 13.02 H new ATOM 0 HA VAL A 58 -0.044 -4.802 -5.430 1.00 21.13 H new ATOM 0 HB VAL A 58 -1.199 -5.960 -7.952 1.00 53.33 H new ATOM 0 HG11 VAL A 58 -0.722 -8.194 -7.013 1.00 4.03 H new ATOM 0 HG12 VAL A 58 0.763 -7.284 -7.376 1.00 4.03 H new ATOM 0 HG13 VAL A 58 0.198 -7.430 -5.695 1.00 4.03 H new ATOM 0 HG21 VAL A 58 -2.742 -7.061 -6.348 1.00 42.25 H new ATOM 0 HG22 VAL A 58 -1.924 -6.219 -5.011 1.00 42.25 H new ATOM 0 HG23 VAL A 58 -2.815 -5.287 -6.237 1.00 42.25 H new ATOM 685 N ASN A 59 2.235 -4.792 -6.300 1.00 43.43 N ATOM 686 CA ASN A 59 3.651 -4.799 -6.708 1.00 3.44 C ATOM 687 C ASN A 59 3.977 -3.573 -7.541 1.00 11.33 C ATOM 688 O ASN A 59 4.863 -3.590 -8.396 1.00 1.41 O ATOM 689 CB ASN A 59 4.006 -6.088 -7.462 1.00 32.13 C ATOM 690 CG ASN A 59 3.896 -7.332 -6.597 1.00 20.22 C ATOM 691 OD1 ASN A 59 4.088 -7.287 -5.371 1.00 61.02 O ATOM 692 ND2 ASN A 59 3.590 -8.446 -7.210 1.00 64.21 N ATOM 0 H ASN A 59 2.108 -4.777 -5.288 1.00 43.43 H new ATOM 0 HA ASN A 59 4.260 -4.767 -5.805 1.00 3.44 H new ATOM 0 HB2 ASN A 59 3.346 -6.192 -8.323 1.00 32.13 H new ATOM 0 HB3 ASN A 59 5.023 -6.009 -7.847 1.00 32.13 H new ATOM 0 HD21 ASN A 59 3.503 -9.313 -6.679 1.00 64.21 H new ATOM 0 HD22 ASN A 59 3.439 -8.448 -8.219 1.00 64.21 H new ATOM 699 N GLY A 60 3.249 -2.500 -7.264 1.00 33.21 N ATOM 700 CA GLY A 60 3.453 -1.251 -7.957 1.00 24.43 C ATOM 701 C GLY A 60 2.663 -1.158 -9.246 1.00 62.12 C ATOM 702 O GLY A 60 2.819 -0.200 -10.009 1.00 12.33 O ATOM 0 H GLY A 60 2.511 -2.477 -6.560 1.00 33.21 H new ATOM 0 HA2 GLY A 60 3.169 -0.427 -7.302 1.00 24.43 H new ATOM 0 HA3 GLY A 60 4.514 -1.132 -8.177 1.00 24.43 H new ATOM 706 N LYS A 61 1.821 -2.140 -9.505 1.00 5.41 N ATOM 707 CA LYS A 61 1.035 -2.162 -10.711 1.00 4.44 C ATOM 708 C LYS A 61 -0.430 -2.014 -10.368 1.00 75.10 C ATOM 709 O LYS A 61 -0.920 -2.663 -9.452 1.00 31.44 O ATOM 710 CB LYS A 61 1.306 -3.449 -11.506 1.00 53.13 C ATOM 711 CG LYS A 61 2.773 -3.642 -11.898 1.00 21.13 C ATOM 712 CD LYS A 61 3.295 -2.512 -12.792 1.00 71.42 C ATOM 713 CE LYS A 61 2.638 -2.517 -14.160 1.00 5.05 C ATOM 714 NZ LYS A 61 3.094 -1.389 -15.004 1.00 25.13 N ATOM 0 H LYS A 61 1.667 -2.937 -8.887 1.00 5.41 H new ATOM 0 HA LYS A 61 1.321 -1.323 -11.345 1.00 4.44 H new ATOM 0 HB2 LYS A 61 0.984 -4.305 -10.913 1.00 53.13 H new ATOM 0 HB3 LYS A 61 0.697 -3.440 -12.410 1.00 53.13 H new ATOM 0 HG2 LYS A 61 3.382 -3.698 -10.996 1.00 21.13 H new ATOM 0 HG3 LYS A 61 2.885 -4.593 -12.418 1.00 21.13 H new ATOM 0 HD2 LYS A 61 3.114 -1.553 -12.307 1.00 71.42 H new ATOM 0 HD3 LYS A 61 4.374 -2.611 -12.908 1.00 71.42 H new ATOM 0 HE2 LYS A 61 2.859 -3.458 -14.664 1.00 5.05 H new ATOM 0 HE3 LYS A 61 1.556 -2.465 -14.042 1.00 5.05 H new ATOM 0 HZ1 LYS A 61 2.619 -1.433 -15.928 1.00 25.13 H new ATOM 0 HZ2 LYS A 61 2.860 -0.490 -14.537 1.00 25.13 H new ATOM 0 HZ3 LYS A 61 4.123 -1.451 -15.140 1.00 25.13 H new ATOM 728 N ILE A 62 -1.108 -1.167 -11.093 1.00 34.12 N ATOM 729 CA ILE A 62 -2.498 -0.839 -10.827 1.00 75.41 C ATOM 730 C ILE A 62 -3.423 -2.004 -11.280 1.00 24.14 C ATOM 731 O ILE A 62 -3.313 -2.531 -12.396 1.00 44.03 O ATOM 732 CB ILE A 62 -2.867 0.546 -11.511 1.00 73.34 C ATOM 733 CG1 ILE A 62 -4.109 1.248 -10.881 1.00 63.14 C ATOM 734 CG2 ILE A 62 -3.032 0.420 -13.016 1.00 53.34 C ATOM 735 CD1 ILE A 62 -5.434 0.556 -11.046 1.00 34.01 C ATOM 0 H ILE A 62 -0.715 -0.675 -11.895 1.00 34.12 H new ATOM 0 HA ILE A 62 -2.652 -0.717 -9.755 1.00 75.41 H new ATOM 0 HB ILE A 62 -2.010 1.189 -11.312 1.00 73.34 H new ATOM 0 HG12 ILE A 62 -3.923 1.376 -9.815 1.00 63.14 H new ATOM 0 HG13 ILE A 62 -4.191 2.246 -11.312 1.00 63.14 H new ATOM 0 HG21 ILE A 62 -3.284 1.393 -13.437 1.00 53.34 H new ATOM 0 HG22 ILE A 62 -2.100 0.064 -13.456 1.00 53.34 H new ATOM 0 HG23 ILE A 62 -3.831 -0.288 -13.236 1.00 53.34 H new ATOM 0 HD11 ILE A 62 -6.215 1.145 -10.564 1.00 34.01 H new ATOM 0 HD12 ILE A 62 -5.661 0.452 -12.107 1.00 34.01 H new ATOM 0 HD13 ILE A 62 -5.389 -0.431 -10.586 1.00 34.01 H new ATOM 747 N GLN A 63 -4.262 -2.428 -10.395 1.00 23.23 N ATOM 748 CA GLN A 63 -5.209 -3.490 -10.631 1.00 63.20 C ATOM 749 C GLN A 63 -6.593 -2.943 -10.265 1.00 21.05 C ATOM 750 O GLN A 63 -6.719 -2.129 -9.337 1.00 44.50 O ATOM 751 CB GLN A 63 -4.907 -4.697 -9.708 1.00 44.44 C ATOM 752 CG GLN A 63 -3.436 -5.111 -9.589 1.00 41.52 C ATOM 753 CD GLN A 63 -2.797 -5.573 -10.883 1.00 54.51 C ATOM 754 OE1 GLN A 63 -3.454 -6.123 -11.779 1.00 21.31 O ATOM 755 NE2 GLN A 63 -1.513 -5.359 -10.988 1.00 11.44 N ATOM 0 H GLN A 63 -4.317 -2.039 -9.454 1.00 23.23 H new ATOM 0 HA GLN A 63 -5.155 -3.817 -11.669 1.00 63.20 H new ATOM 0 HB2 GLN A 63 -5.279 -4.466 -8.710 1.00 44.44 H new ATOM 0 HB3 GLN A 63 -5.475 -5.554 -10.069 1.00 44.44 H new ATOM 0 HG2 GLN A 63 -2.866 -4.267 -9.200 1.00 41.52 H new ATOM 0 HG3 GLN A 63 -3.358 -5.913 -8.855 1.00 41.52 H new ATOM 0 HE21 GLN A 63 -1.008 -4.903 -10.228 1.00 11.44 H new ATOM 0 HE22 GLN A 63 -1.015 -5.648 -11.830 1.00 11.44 H new ATOM 764 N THR A 64 -7.607 -3.338 -10.984 1.00 53.25 N ATOM 765 CA THR A 64 -8.946 -2.898 -10.669 1.00 23.44 C ATOM 766 C THR A 64 -9.568 -3.859 -9.620 1.00 74.14 C ATOM 767 O THR A 64 -8.954 -4.889 -9.276 1.00 51.30 O ATOM 768 CB THR A 64 -9.828 -2.798 -11.959 1.00 72.54 C ATOM 769 OG1 THR A 64 -11.078 -2.169 -11.665 1.00 71.54 O ATOM 770 CG2 THR A 64 -10.086 -4.172 -12.572 1.00 31.14 C ATOM 0 H THR A 64 -7.537 -3.961 -11.789 1.00 53.25 H new ATOM 0 HA THR A 64 -8.903 -1.896 -10.242 1.00 23.44 H new ATOM 0 HB THR A 64 -9.276 -2.196 -12.681 1.00 72.54 H new ATOM 0 HG1 THR A 64 -11.616 -2.113 -12.482 1.00 71.54 H new ATOM 0 HG21 THR A 64 -10.701 -4.062 -13.465 1.00 31.14 H new ATOM 0 HG22 THR A 64 -9.136 -4.635 -12.840 1.00 31.14 H new ATOM 0 HG23 THR A 64 -10.605 -4.801 -11.849 1.00 31.14 H new ATOM 778 N THR A 65 -10.768 -3.531 -9.126 1.00 70.10 N ATOM 779 CA THR A 65 -11.466 -4.329 -8.117 1.00 31.42 C ATOM 780 C THR A 65 -11.667 -5.785 -8.591 1.00 13.02 C ATOM 781 O THR A 65 -11.587 -6.733 -7.793 1.00 61.33 O ATOM 782 CB THR A 65 -12.833 -3.661 -7.687 1.00 14.21 C ATOM 783 OG1 THR A 65 -13.513 -4.471 -6.713 1.00 24.13 O ATOM 784 CG2 THR A 65 -13.748 -3.433 -8.890 1.00 65.31 C ATOM 0 H THR A 65 -11.283 -2.700 -9.418 1.00 70.10 H new ATOM 0 HA THR A 65 -10.832 -4.360 -7.231 1.00 31.42 H new ATOM 0 HB THR A 65 -12.594 -2.693 -7.246 1.00 14.21 H new ATOM 0 HG1 THR A 65 -13.911 -3.894 -6.028 1.00 24.13 H new ATOM 0 HG21 THR A 65 -14.678 -2.973 -8.557 1.00 65.31 H new ATOM 0 HG22 THR A 65 -13.253 -2.775 -9.604 1.00 65.31 H new ATOM 0 HG23 THR A 65 -13.966 -4.388 -9.367 1.00 65.31 H new ATOM 792 N THR A 66 -11.861 -5.953 -9.890 1.00 51.35 N ATOM 793 CA THR A 66 -12.029 -7.254 -10.492 1.00 1.43 C ATOM 794 C THR A 66 -10.718 -8.065 -10.400 1.00 72.34 C ATOM 795 O THR A 66 -10.730 -9.242 -10.067 1.00 13.12 O ATOM 796 CB THR A 66 -12.464 -7.082 -11.958 1.00 45.22 C ATOM 797 OG1 THR A 66 -13.661 -6.284 -11.990 1.00 72.01 O ATOM 798 CG2 THR A 66 -12.717 -8.430 -12.622 1.00 72.13 C ATOM 0 H THR A 66 -11.906 -5.181 -10.555 1.00 51.35 H new ATOM 0 HA THR A 66 -12.800 -7.805 -9.954 1.00 1.43 H new ATOM 0 HB THR A 66 -11.665 -6.588 -12.511 1.00 45.22 H new ATOM 0 HG1 THR A 66 -13.950 -6.164 -12.919 1.00 72.01 H new ATOM 0 HG21 THR A 66 -13.023 -8.274 -13.657 1.00 72.13 H new ATOM 0 HG22 THR A 66 -11.803 -9.024 -12.599 1.00 72.13 H new ATOM 0 HG23 THR A 66 -13.506 -8.957 -12.086 1.00 72.13 H new ATOM 806 N ALA A 67 -9.604 -7.407 -10.663 1.00 31.24 N ATOM 807 CA ALA A 67 -8.292 -8.024 -10.593 1.00 45.10 C ATOM 808 C ALA A 67 -7.986 -8.430 -9.165 1.00 11.34 C ATOM 809 O ALA A 67 -7.575 -9.551 -8.924 1.00 34.24 O ATOM 810 CB ALA A 67 -7.238 -7.076 -11.112 1.00 62.32 C ATOM 0 H ALA A 67 -9.584 -6.424 -10.933 1.00 31.24 H new ATOM 0 HA ALA A 67 -8.288 -8.917 -11.218 1.00 45.10 H new ATOM 0 HB1 ALA A 67 -6.259 -7.552 -11.053 1.00 62.32 H new ATOM 0 HB2 ALA A 67 -7.456 -6.822 -12.149 1.00 62.32 H new ATOM 0 HB3 ALA A 67 -7.236 -6.168 -10.509 1.00 62.32 H new ATOM 816 N PHE A 68 -8.213 -7.506 -8.222 1.00 3.24 N ATOM 817 CA PHE A 68 -8.044 -7.786 -6.789 1.00 23.12 C ATOM 818 C PHE A 68 -8.829 -9.011 -6.405 1.00 51.51 C ATOM 819 O PHE A 68 -8.288 -9.940 -5.821 1.00 11.14 O ATOM 820 CB PHE A 68 -8.506 -6.594 -5.951 1.00 33.40 C ATOM 821 CG PHE A 68 -8.669 -6.879 -4.472 1.00 52.12 C ATOM 822 CD1 PHE A 68 -9.935 -7.059 -3.932 1.00 22.41 C ATOM 823 CD2 PHE A 68 -7.576 -6.979 -3.634 1.00 23.44 C ATOM 824 CE1 PHE A 68 -10.104 -7.333 -2.596 1.00 21.01 C ATOM 825 CE2 PHE A 68 -7.739 -7.251 -2.288 1.00 22.04 C ATOM 826 CZ PHE A 68 -9.006 -7.428 -1.768 1.00 54.43 C ATOM 0 H PHE A 68 -8.516 -6.554 -8.427 1.00 3.24 H new ATOM 0 HA PHE A 68 -6.986 -7.962 -6.596 1.00 23.12 H new ATOM 0 HB2 PHE A 68 -7.788 -5.783 -6.073 1.00 33.40 H new ATOM 0 HB3 PHE A 68 -9.458 -6.239 -6.345 1.00 33.40 H new ATOM 0 HD1 PHE A 68 -10.801 -6.982 -4.572 1.00 22.41 H new ATOM 0 HD2 PHE A 68 -6.582 -6.843 -4.035 1.00 23.44 H new ATOM 0 HE1 PHE A 68 -11.097 -7.474 -2.195 1.00 21.01 H new ATOM 0 HE2 PHE A 68 -6.876 -7.325 -1.644 1.00 22.04 H new ATOM 0 HZ PHE A 68 -9.136 -7.640 -0.717 1.00 54.43 H new ATOM 836 N LEU A 69 -10.106 -8.986 -6.734 1.00 4.23 N ATOM 837 CA LEU A 69 -11.012 -10.134 -6.506 1.00 70.25 C ATOM 838 C LEU A 69 -10.411 -11.441 -7.041 1.00 53.13 C ATOM 839 O LEU A 69 -10.418 -12.467 -6.352 1.00 3.02 O ATOM 840 CB LEU A 69 -12.379 -9.883 -7.149 1.00 24.54 C ATOM 841 CG LEU A 69 -13.421 -10.999 -7.012 1.00 32.42 C ATOM 842 CD1 LEU A 69 -13.762 -11.258 -5.553 1.00 42.35 C ATOM 843 CD2 LEU A 69 -14.671 -10.656 -7.797 1.00 62.04 C ATOM 0 H LEU A 69 -10.559 -8.181 -7.166 1.00 4.23 H new ATOM 0 HA LEU A 69 -11.142 -10.237 -5.429 1.00 70.25 H new ATOM 0 HB2 LEU A 69 -12.796 -8.973 -6.717 1.00 24.54 H new ATOM 0 HB3 LEU A 69 -12.225 -9.690 -8.211 1.00 24.54 H new ATOM 0 HG LEU A 69 -12.991 -11.913 -7.422 1.00 32.42 H new ATOM 0 HD11 LEU A 69 -14.503 -12.054 -5.488 1.00 42.35 H new ATOM 0 HD12 LEU A 69 -12.861 -11.556 -5.016 1.00 42.35 H new ATOM 0 HD13 LEU A 69 -14.166 -10.349 -5.107 1.00 42.35 H new ATOM 0 HD21 LEU A 69 -15.400 -11.459 -7.689 1.00 62.04 H new ATOM 0 HD22 LEU A 69 -15.095 -9.727 -7.417 1.00 62.04 H new ATOM 0 HD23 LEU A 69 -14.418 -10.536 -8.850 1.00 62.04 H new ATOM 855 N GLN A 70 -9.892 -11.390 -8.248 1.00 53.54 N ATOM 856 CA GLN A 70 -9.244 -12.513 -8.860 1.00 44.41 C ATOM 857 C GLN A 70 -8.048 -12.987 -8.028 1.00 30.53 C ATOM 858 O GLN A 70 -7.953 -14.164 -7.697 1.00 61.45 O ATOM 859 CB GLN A 70 -8.831 -12.160 -10.281 1.00 35.53 C ATOM 860 CG GLN A 70 -9.999 -12.009 -11.228 1.00 53.11 C ATOM 861 CD GLN A 70 -9.577 -11.634 -12.622 1.00 31.34 C ATOM 862 OE1 GLN A 70 -9.323 -12.496 -13.453 1.00 0.13 O ATOM 863 NE2 GLN A 70 -9.517 -10.364 -12.896 1.00 55.12 N ATOM 0 H GLN A 70 -9.912 -10.555 -8.833 1.00 53.54 H new ATOM 0 HA GLN A 70 -9.949 -13.343 -8.902 1.00 44.41 H new ATOM 0 HB2 GLN A 70 -8.263 -11.230 -10.265 1.00 35.53 H new ATOM 0 HB3 GLN A 70 -8.164 -12.934 -10.660 1.00 35.53 H new ATOM 0 HG2 GLN A 70 -10.556 -12.945 -11.262 1.00 53.11 H new ATOM 0 HG3 GLN A 70 -10.677 -11.248 -10.842 1.00 53.11 H new ATOM 0 HE21 GLN A 70 -9.736 -9.676 -12.176 1.00 55.12 H new ATOM 0 HE22 GLN A 70 -9.251 -10.056 -13.831 1.00 55.12 H new ATOM 872 N PHE A 71 -7.197 -12.060 -7.619 1.00 33.33 N ATOM 873 CA PHE A 71 -6.003 -12.400 -6.843 1.00 74.33 C ATOM 874 C PHE A 71 -6.394 -12.932 -5.461 1.00 62.31 C ATOM 875 O PHE A 71 -5.746 -13.834 -4.913 1.00 3.42 O ATOM 876 CB PHE A 71 -5.063 -11.198 -6.711 1.00 43.43 C ATOM 877 CG PHE A 71 -4.569 -10.637 -8.018 1.00 3.33 C ATOM 878 CD1 PHE A 71 -4.049 -11.465 -9.003 1.00 44.01 C ATOM 879 CD2 PHE A 71 -4.614 -9.275 -8.256 1.00 4.12 C ATOM 880 CE1 PHE A 71 -3.594 -10.943 -10.198 1.00 33.41 C ATOM 881 CE2 PHE A 71 -4.163 -8.750 -9.447 1.00 33.45 C ATOM 882 CZ PHE A 71 -3.653 -9.584 -10.420 1.00 12.40 C ATOM 0 H PHE A 71 -7.306 -11.064 -7.809 1.00 33.33 H new ATOM 0 HA PHE A 71 -5.468 -13.184 -7.379 1.00 74.33 H new ATOM 0 HB2 PHE A 71 -5.580 -10.409 -6.165 1.00 43.43 H new ATOM 0 HB3 PHE A 71 -4.203 -11.491 -6.109 1.00 43.43 H new ATOM 0 HD1 PHE A 71 -4.000 -12.530 -8.833 1.00 44.01 H new ATOM 0 HD2 PHE A 71 -5.008 -8.614 -7.498 1.00 4.12 H new ATOM 0 HE1 PHE A 71 -3.193 -11.598 -10.957 1.00 33.41 H new ATOM 0 HE2 PHE A 71 -4.209 -7.685 -9.619 1.00 33.45 H new ATOM 0 HZ PHE A 71 -3.300 -9.173 -11.354 1.00 12.40 H new ATOM 892 N PHE A 72 -7.459 -12.376 -4.918 1.00 21.10 N ATOM 893 CA PHE A 72 -8.036 -12.818 -3.671 1.00 75.51 C ATOM 894 C PHE A 72 -8.477 -14.271 -3.769 1.00 22.03 C ATOM 895 O PHE A 72 -8.073 -15.101 -2.958 1.00 2.03 O ATOM 896 CB PHE A 72 -9.216 -11.900 -3.284 1.00 41.43 C ATOM 897 CG PHE A 72 -10.284 -12.560 -2.448 1.00 43.42 C ATOM 898 CD1 PHE A 72 -11.484 -12.923 -3.030 1.00 22.41 C ATOM 899 CD2 PHE A 72 -10.089 -12.828 -1.116 1.00 40.34 C ATOM 900 CE1 PHE A 72 -12.471 -13.539 -2.300 1.00 12.20 C ATOM 901 CE2 PHE A 72 -11.073 -13.446 -0.370 1.00 34.15 C ATOM 902 CZ PHE A 72 -12.268 -13.802 -0.966 1.00 55.12 C ATOM 0 H PHE A 72 -7.954 -11.591 -5.341 1.00 21.10 H new ATOM 0 HA PHE A 72 -7.280 -12.755 -2.888 1.00 75.51 H new ATOM 0 HB2 PHE A 72 -8.826 -11.041 -2.738 1.00 41.43 H new ATOM 0 HB3 PHE A 72 -9.674 -11.516 -4.196 1.00 41.43 H new ATOM 0 HD1 PHE A 72 -11.649 -12.719 -4.078 1.00 22.41 H new ATOM 0 HD2 PHE A 72 -9.156 -12.553 -0.647 1.00 40.34 H new ATOM 0 HE1 PHE A 72 -13.402 -13.815 -2.772 1.00 12.20 H new ATOM 0 HE2 PHE A 72 -10.909 -13.651 0.678 1.00 34.15 H new ATOM 0 HZ PHE A 72 -13.040 -14.285 -0.386 1.00 55.12 H new ATOM 912 N ARG A 73 -9.257 -14.583 -4.791 1.00 33.33 N ATOM 913 CA ARG A 73 -9.792 -15.920 -4.941 1.00 10.14 C ATOM 914 C ARG A 73 -8.725 -16.894 -5.430 1.00 43.33 C ATOM 915 O ARG A 73 -8.929 -18.104 -5.429 1.00 62.43 O ATOM 916 CB ARG A 73 -11.047 -15.936 -5.822 1.00 55.14 C ATOM 917 CG ARG A 73 -10.816 -15.550 -7.264 1.00 31.51 C ATOM 918 CD ARG A 73 -12.126 -15.435 -8.001 1.00 13.41 C ATOM 919 NE ARG A 73 -11.944 -15.159 -9.425 1.00 33.40 N ATOM 920 CZ ARG A 73 -12.807 -14.471 -10.175 1.00 31.12 C ATOM 921 NH1 ARG A 73 -13.950 -14.038 -9.646 1.00 70.22 N ATOM 922 NH2 ARG A 73 -12.540 -14.241 -11.461 1.00 53.32 N ATOM 0 H ARG A 73 -9.531 -13.929 -5.525 1.00 33.33 H new ATOM 0 HA ARG A 73 -10.104 -16.262 -3.954 1.00 10.14 H new ATOM 0 HB2 ARG A 73 -11.481 -16.936 -5.794 1.00 55.14 H new ATOM 0 HB3 ARG A 73 -11.783 -15.257 -5.393 1.00 55.14 H new ATOM 0 HG2 ARG A 73 -10.282 -14.601 -7.311 1.00 31.51 H new ATOM 0 HG3 ARG A 73 -10.185 -16.295 -7.748 1.00 31.51 H new ATOM 0 HD2 ARG A 73 -12.688 -16.361 -7.883 1.00 13.41 H new ATOM 0 HD3 ARG A 73 -12.723 -14.640 -7.553 1.00 13.41 H new ATOM 0 HE ARG A 73 -11.101 -15.516 -9.875 1.00 33.40 H new ATOM 0 HH11 ARG A 73 -14.165 -14.232 -8.668 1.00 70.22 H new ATOM 0 HH12 ARG A 73 -14.610 -13.512 -10.219 1.00 70.22 H new ATOM 0 HH21 ARG A 73 -11.675 -14.591 -11.873 1.00 53.32 H new ATOM 0 HH22 ARG A 73 -13.201 -13.715 -12.033 1.00 53.32 H new ATOM 936 N GLN A 74 -7.607 -16.360 -5.891 1.00 4.43 N ATOM 937 CA GLN A 74 -6.453 -17.173 -6.199 1.00 31.41 C ATOM 938 C GLN A 74 -5.643 -17.483 -4.950 1.00 52.23 C ATOM 939 O GLN A 74 -4.716 -18.278 -4.983 1.00 33.04 O ATOM 940 CB GLN A 74 -5.597 -16.507 -7.229 1.00 33.33 C ATOM 941 CG GLN A 74 -6.248 -16.501 -8.581 1.00 2.33 C ATOM 942 CD GLN A 74 -6.440 -17.892 -9.148 1.00 10.32 C ATOM 943 OE1 GLN A 74 -5.573 -18.415 -9.831 1.00 21.45 O ATOM 944 NE2 GLN A 74 -7.566 -18.495 -8.886 1.00 71.34 N ATOM 0 H GLN A 74 -7.478 -15.362 -6.059 1.00 4.43 H new ATOM 0 HA GLN A 74 -6.813 -18.118 -6.606 1.00 31.41 H new ATOM 0 HB2 GLN A 74 -5.391 -15.482 -6.921 1.00 33.33 H new ATOM 0 HB3 GLN A 74 -4.638 -17.021 -7.291 1.00 33.33 H new ATOM 0 HG2 GLN A 74 -7.217 -16.006 -8.510 1.00 2.33 H new ATOM 0 HG3 GLN A 74 -5.640 -15.914 -9.269 1.00 2.33 H new ATOM 0 HE21 GLN A 74 -8.271 -18.032 -8.312 1.00 71.34 H new ATOM 0 HE22 GLN A 74 -7.742 -19.430 -9.255 1.00 71.34 H new ATOM 953 N GLY A 75 -5.992 -16.835 -3.855 1.00 70.14 N ATOM 954 CA GLY A 75 -5.345 -17.083 -2.607 1.00 14.32 C ATOM 955 C GLY A 75 -4.047 -16.339 -2.479 1.00 52.44 C ATOM 956 O GLY A 75 -3.166 -16.749 -1.739 1.00 22.40 O ATOM 0 H GLY A 75 -6.728 -16.130 -3.818 1.00 70.14 H new ATOM 0 HA2 GLY A 75 -6.009 -16.793 -1.792 1.00 14.32 H new ATOM 0 HA3 GLY A 75 -5.160 -18.152 -2.503 1.00 14.32 H new ATOM 960 N LEU A 76 -3.921 -15.234 -3.169 1.00 41.13 N ATOM 961 CA LEU A 76 -2.682 -14.490 -3.124 1.00 64.23 C ATOM 962 C LEU A 76 -2.559 -13.663 -1.851 1.00 43.41 C ATOM 963 O LEU A 76 -1.498 -13.589 -1.256 1.00 2.33 O ATOM 964 CB LEU A 76 -2.498 -13.618 -4.377 1.00 65.12 C ATOM 965 CG LEU A 76 -2.435 -14.373 -5.721 1.00 32.34 C ATOM 966 CD1 LEU A 76 -2.055 -13.441 -6.851 1.00 11.53 C ATOM 967 CD2 LEU A 76 -1.469 -15.542 -5.657 1.00 73.41 C ATOM 0 H LEU A 76 -4.648 -14.832 -3.761 1.00 41.13 H new ATOM 0 HA LEU A 76 -1.875 -15.222 -3.111 1.00 64.23 H new ATOM 0 HB2 LEU A 76 -3.320 -12.903 -4.422 1.00 65.12 H new ATOM 0 HB3 LEU A 76 -1.580 -13.042 -4.263 1.00 65.12 H new ATOM 0 HG LEU A 76 -3.432 -14.768 -5.917 1.00 32.34 H new ATOM 0 HD11 LEU A 76 -2.018 -13.999 -7.786 1.00 11.53 H new ATOM 0 HD12 LEU A 76 -2.796 -12.646 -6.932 1.00 11.53 H new ATOM 0 HD13 LEU A 76 -1.076 -13.005 -6.650 1.00 11.53 H new ATOM 0 HD21 LEU A 76 -1.450 -16.051 -6.621 1.00 73.41 H new ATOM 0 HD22 LEU A 76 -0.470 -15.176 -5.420 1.00 73.41 H new ATOM 0 HD23 LEU A 76 -1.793 -16.240 -4.884 1.00 73.41 H new ATOM 979 N PHE A 77 -3.657 -13.106 -1.392 1.00 52.11 N ATOM 980 CA PHE A 77 -3.596 -12.221 -0.231 1.00 40.54 C ATOM 981 C PHE A 77 -3.950 -12.930 1.064 1.00 12.10 C ATOM 982 O PHE A 77 -3.891 -12.326 2.128 1.00 45.24 O ATOM 983 CB PHE A 77 -4.511 -11.016 -0.416 1.00 32.40 C ATOM 984 CG PHE A 77 -4.273 -10.268 -1.688 1.00 14.22 C ATOM 985 CD1 PHE A 77 -3.039 -9.703 -1.961 1.00 1.11 C ATOM 986 CD2 PHE A 77 -5.286 -10.132 -2.611 1.00 2.31 C ATOM 987 CE1 PHE A 77 -2.827 -9.019 -3.136 1.00 53.22 C ATOM 988 CE2 PHE A 77 -5.079 -9.449 -3.781 1.00 51.51 C ATOM 989 CZ PHE A 77 -3.849 -8.891 -4.049 1.00 43.32 C ATOM 0 H PHE A 77 -4.587 -13.240 -1.788 1.00 52.11 H new ATOM 0 HA PHE A 77 -2.561 -11.887 -0.157 1.00 40.54 H new ATOM 0 HB2 PHE A 77 -5.548 -11.352 -0.391 1.00 32.40 H new ATOM 0 HB3 PHE A 77 -4.376 -10.336 0.425 1.00 32.40 H new ATOM 0 HD1 PHE A 77 -2.236 -9.800 -1.246 1.00 1.11 H new ATOM 0 HD2 PHE A 77 -6.254 -10.568 -2.411 1.00 2.31 H new ATOM 0 HE1 PHE A 77 -1.860 -8.583 -3.341 1.00 53.22 H new ATOM 0 HE2 PHE A 77 -5.883 -9.348 -4.495 1.00 51.51 H new ATOM 0 HZ PHE A 77 -3.687 -8.355 -4.972 1.00 43.32 H new ATOM 999 N LYS A 78 -4.234 -14.218 0.999 1.00 2.31 N ATOM 1000 CA LYS A 78 -4.707 -14.918 2.185 1.00 64.33 C ATOM 1001 C LYS A 78 -3.640 -15.112 3.266 1.00 64.22 C ATOM 1002 O LYS A 78 -3.950 -15.449 4.403 1.00 22.11 O ATOM 1003 CB LYS A 78 -5.553 -16.188 1.860 1.00 71.40 C ATOM 1004 CG LYS A 78 -4.967 -17.216 0.885 1.00 41.51 C ATOM 1005 CD LYS A 78 -3.734 -17.927 1.430 1.00 2.23 C ATOM 1006 CE LYS A 78 -3.291 -19.053 0.502 1.00 20.41 C ATOM 1007 NZ LYS A 78 -2.069 -19.732 0.980 1.00 5.23 N ATOM 0 H LYS A 78 -4.149 -14.792 0.160 1.00 2.31 H new ATOM 0 HA LYS A 78 -5.417 -14.237 2.654 1.00 64.33 H new ATOM 0 HB2 LYS A 78 -5.760 -16.700 2.800 1.00 71.40 H new ATOM 0 HB3 LYS A 78 -6.511 -15.857 1.459 1.00 71.40 H new ATOM 0 HG2 LYS A 78 -5.730 -17.957 0.647 1.00 41.51 H new ATOM 0 HG3 LYS A 78 -4.707 -16.715 -0.048 1.00 41.51 H new ATOM 0 HD2 LYS A 78 -2.921 -17.211 1.550 1.00 2.23 H new ATOM 0 HD3 LYS A 78 -3.951 -18.331 2.419 1.00 2.23 H new ATOM 0 HE2 LYS A 78 -4.096 -19.782 0.411 1.00 20.41 H new ATOM 0 HE3 LYS A 78 -3.112 -18.649 -0.495 1.00 20.41 H new ATOM 0 HZ1 LYS A 78 -1.810 -20.488 0.315 1.00 5.23 H new ATOM 0 HZ2 LYS A 78 -1.291 -19.044 1.042 1.00 5.23 H new ATOM 0 HZ3 LYS A 78 -2.245 -20.142 1.919 1.00 5.23 H new ATOM 1021 N LYS A 79 -2.380 -14.955 2.891 1.00 31.51 N ATOM 1022 CA LYS A 79 -1.288 -14.935 3.859 1.00 52.23 C ATOM 1023 C LYS A 79 -1.014 -13.521 4.366 1.00 25.00 C ATOM 1024 O LYS A 79 -0.373 -13.324 5.394 1.00 52.35 O ATOM 1025 CB LYS A 79 -0.029 -15.553 3.265 1.00 42.31 C ATOM 1026 CG LYS A 79 -0.077 -17.066 3.117 1.00 52.52 C ATOM 1027 CD LYS A 79 0.551 -17.797 4.320 1.00 73.11 C ATOM 1028 CE LYS A 79 -0.145 -17.507 5.648 1.00 74.41 C ATOM 1029 NZ LYS A 79 0.523 -18.193 6.775 1.00 35.11 N ATOM 0 H LYS A 79 -2.085 -14.839 1.921 1.00 31.51 H new ATOM 0 HA LYS A 79 -1.594 -15.536 4.715 1.00 52.23 H new ATOM 0 HB2 LYS A 79 0.150 -15.110 2.285 1.00 42.31 H new ATOM 0 HB3 LYS A 79 0.821 -15.289 3.894 1.00 42.31 H new ATOM 0 HG2 LYS A 79 -1.113 -17.384 3.003 1.00 52.52 H new ATOM 0 HG3 LYS A 79 0.447 -17.356 2.206 1.00 52.52 H new ATOM 0 HD2 LYS A 79 0.526 -18.871 4.134 1.00 73.11 H new ATOM 0 HD3 LYS A 79 1.600 -17.511 4.400 1.00 73.11 H new ATOM 0 HE2 LYS A 79 -0.152 -16.432 5.828 1.00 74.41 H new ATOM 0 HE3 LYS A 79 -1.185 -17.827 5.592 1.00 74.41 H new ATOM 0 HZ1 LYS A 79 0.023 -17.973 7.660 1.00 35.11 H new ATOM 0 HZ2 LYS A 79 0.507 -19.220 6.614 1.00 35.11 H new ATOM 0 HZ3 LYS A 79 1.509 -17.868 6.844 1.00 35.11 H new ATOM 1043 N LEU A 80 -1.535 -12.556 3.655 1.00 21.34 N ATOM 1044 CA LEU A 80 -1.291 -11.157 3.926 1.00 24.12 C ATOM 1045 C LEU A 80 -2.257 -10.649 4.992 1.00 45.23 C ATOM 1046 O LEU A 80 -2.029 -9.625 5.619 1.00 42.03 O ATOM 1047 CB LEU A 80 -1.358 -10.366 2.579 1.00 62.02 C ATOM 1048 CG LEU A 80 -1.152 -8.834 2.584 1.00 14.42 C ATOM 1049 CD1 LEU A 80 -0.689 -8.384 1.207 1.00 0.35 C ATOM 1050 CD2 LEU A 80 -2.464 -8.112 2.908 1.00 4.41 C ATOM 0 H LEU A 80 -2.151 -12.719 2.858 1.00 21.34 H new ATOM 0 HA LEU A 80 -0.294 -11.005 4.339 1.00 24.12 H new ATOM 0 HB2 LEU A 80 -0.610 -10.794 1.912 1.00 62.02 H new ATOM 0 HB3 LEU A 80 -2.333 -10.563 2.133 1.00 62.02 H new ATOM 0 HG LEU A 80 -0.407 -8.591 3.342 1.00 14.42 H new ATOM 0 HD11 LEU A 80 -0.543 -7.304 1.207 1.00 0.35 H new ATOM 0 HD12 LEU A 80 0.251 -8.877 0.960 1.00 0.35 H new ATOM 0 HD13 LEU A 80 -1.443 -8.648 0.465 1.00 0.35 H new ATOM 0 HD21 LEU A 80 -2.297 -7.035 2.906 1.00 4.41 H new ATOM 0 HD22 LEU A 80 -3.213 -8.364 2.157 1.00 4.41 H new ATOM 0 HD23 LEU A 80 -2.817 -8.423 3.891 1.00 4.41 H new ATOM 1062 N LYS A 81 -3.297 -11.410 5.255 1.00 64.40 N ATOM 1063 CA LYS A 81 -4.277 -11.014 6.259 1.00 30.12 C ATOM 1064 C LYS A 81 -3.752 -11.227 7.677 1.00 61.35 C ATOM 1065 O LYS A 81 -4.354 -10.791 8.653 1.00 61.00 O ATOM 1066 CB LYS A 81 -5.640 -11.696 6.028 1.00 15.45 C ATOM 1067 CG LYS A 81 -5.663 -13.233 6.000 1.00 11.43 C ATOM 1068 CD LYS A 81 -5.456 -13.865 7.370 1.00 64.44 C ATOM 1069 CE LYS A 81 -5.471 -15.373 7.289 1.00 13.23 C ATOM 1070 NZ LYS A 81 -5.172 -15.998 8.587 1.00 52.33 N ATOM 0 H LYS A 81 -3.491 -12.300 4.796 1.00 64.40 H new ATOM 0 HA LYS A 81 -4.443 -9.943 6.146 1.00 30.12 H new ATOM 0 HB2 LYS A 81 -6.321 -11.363 6.811 1.00 15.45 H new ATOM 0 HB3 LYS A 81 -6.042 -11.335 5.081 1.00 15.45 H new ATOM 0 HG2 LYS A 81 -6.618 -13.568 5.594 1.00 11.43 H new ATOM 0 HG3 LYS A 81 -4.886 -13.589 5.323 1.00 11.43 H new ATOM 0 HD2 LYS A 81 -4.506 -13.531 7.787 1.00 64.44 H new ATOM 0 HD3 LYS A 81 -6.238 -13.528 8.050 1.00 64.44 H new ATOM 0 HE2 LYS A 81 -6.449 -15.708 6.942 1.00 13.23 H new ATOM 0 HE3 LYS A 81 -4.741 -15.704 6.551 1.00 13.23 H new ATOM 0 HZ1 LYS A 81 -4.672 -16.897 8.433 1.00 52.33 H new ATOM 0 HZ2 LYS A 81 -4.573 -15.361 9.149 1.00 52.33 H new ATOM 0 HZ3 LYS A 81 -6.060 -16.179 9.098 1.00 52.33 H new ATOM 1084 N ASP A 82 -2.615 -11.881 7.770 1.00 14.32 N ATOM 1085 CA ASP A 82 -1.976 -12.181 9.047 1.00 30.13 C ATOM 1086 C ASP A 82 -0.985 -11.079 9.391 1.00 51.50 C ATOM 1087 O ASP A 82 -0.153 -11.218 10.296 1.00 53.43 O ATOM 1088 CB ASP A 82 -1.240 -13.536 8.986 1.00 32.24 C ATOM 1089 CG ASP A 82 -2.155 -14.729 8.773 1.00 62.51 C ATOM 1090 OD1 ASP A 82 -2.940 -15.076 9.682 1.00 4.32 O ATOM 1091 OD2 ASP A 82 -2.085 -15.383 7.718 1.00 24.23 O ATOM 0 H ASP A 82 -2.099 -12.225 6.960 1.00 14.32 H new ATOM 0 HA ASP A 82 -2.747 -12.239 9.816 1.00 30.13 H new ATOM 0 HB2 ASP A 82 -0.508 -13.504 8.179 1.00 32.24 H new ATOM 0 HB3 ASP A 82 -0.685 -13.678 9.913 1.00 32.24 H new ATOM 1096 N ALA A 83 -1.090 -9.984 8.670 1.00 11.45 N ATOM 1097 CA ALA A 83 -0.196 -8.866 8.811 1.00 71.23 C ATOM 1098 C ALA A 83 -0.531 -7.974 9.989 1.00 12.10 C ATOM 1099 O ALA A 83 -1.682 -7.902 10.446 1.00 10.32 O ATOM 1100 CB ALA A 83 -0.154 -8.061 7.535 1.00 12.00 C ATOM 0 H ALA A 83 -1.810 -9.848 7.961 1.00 11.45 H new ATOM 0 HA ALA A 83 0.791 -9.284 9.012 1.00 71.23 H new ATOM 0 HB1 ALA A 83 0.527 -7.219 7.658 1.00 12.00 H new ATOM 0 HB2 ALA A 83 0.194 -8.693 6.718 1.00 12.00 H new ATOM 0 HB3 ALA A 83 -1.153 -7.689 7.306 1.00 12.00 H new ATOM 1106 N GLU A 84 0.488 -7.298 10.468 1.00 71.55 N ATOM 1107 CA GLU A 84 0.378 -6.380 11.574 1.00 4.14 C ATOM 1108 C GLU A 84 0.501 -4.976 11.065 1.00 51.51 C ATOM 1109 O GLU A 84 1.286 -4.716 10.151 1.00 32.44 O ATOM 1110 CB GLU A 84 1.506 -6.607 12.574 1.00 32.32 C ATOM 1111 CG GLU A 84 1.498 -7.948 13.249 1.00 32.32 C ATOM 1112 CD GLU A 84 0.271 -8.169 14.084 1.00 34.15 C ATOM 1113 OE1 GLU A 84 -0.462 -9.143 13.845 1.00 72.23 O ATOM 1114 OE2 GLU A 84 0.009 -7.364 14.992 1.00 13.22 O ATOM 0 H GLU A 84 1.433 -7.373 10.092 1.00 71.55 H new ATOM 0 HA GLU A 84 -0.585 -6.542 12.058 1.00 4.14 H new ATOM 0 HB2 GLU A 84 2.458 -6.483 12.058 1.00 32.32 H new ATOM 0 HB3 GLU A 84 1.454 -5.832 13.339 1.00 32.32 H new ATOM 0 HG2 GLU A 84 1.564 -8.731 12.493 1.00 32.32 H new ATOM 0 HG3 GLU A 84 2.383 -8.038 13.879 1.00 32.32 H new ATOM 1121 N PHE A 85 -0.232 -4.077 11.648 1.00 20.20 N ATOM 1122 CA PHE A 85 -0.121 -2.683 11.278 1.00 73.21 C ATOM 1123 C PHE A 85 0.827 -1.980 12.227 1.00 23.35 C ATOM 1124 O PHE A 85 0.624 -1.971 13.445 1.00 34.22 O ATOM 1125 CB PHE A 85 -1.498 -1.965 11.150 1.00 45.33 C ATOM 1126 CG PHE A 85 -2.427 -2.049 12.344 1.00 34.14 C ATOM 1127 CD1 PHE A 85 -2.414 -1.070 13.328 1.00 51.52 C ATOM 1128 CD2 PHE A 85 -3.328 -3.096 12.463 1.00 15.22 C ATOM 1129 CE1 PHE A 85 -3.275 -1.137 14.405 1.00 30.44 C ATOM 1130 CE2 PHE A 85 -4.191 -3.170 13.540 1.00 54.33 C ATOM 1131 CZ PHE A 85 -4.164 -2.189 14.511 1.00 31.12 C ATOM 0 H PHE A 85 -0.914 -4.274 12.381 1.00 20.20 H new ATOM 0 HA PHE A 85 0.299 -2.634 10.273 1.00 73.21 H new ATOM 0 HB2 PHE A 85 -1.313 -0.912 10.937 1.00 45.33 H new ATOM 0 HB3 PHE A 85 -2.018 -2.379 10.286 1.00 45.33 H new ATOM 0 HD1 PHE A 85 -1.721 -0.245 13.250 1.00 51.52 H new ATOM 0 HD2 PHE A 85 -3.356 -3.864 11.704 1.00 15.22 H new ATOM 0 HE1 PHE A 85 -3.254 -0.368 15.163 1.00 30.44 H new ATOM 0 HE2 PHE A 85 -4.885 -3.993 13.622 1.00 54.33 H new ATOM 0 HZ PHE A 85 -4.838 -2.244 15.353 1.00 31.12 H new ATOM 1141 N ALA A 86 1.875 -1.437 11.684 1.00 70.25 N ATOM 1142 CA ALA A 86 2.896 -0.798 12.486 1.00 72.14 C ATOM 1143 C ALA A 86 2.726 0.701 12.437 1.00 62.34 C ATOM 1144 O ALA A 86 1.790 1.196 11.797 1.00 64.43 O ATOM 1145 CB ALA A 86 4.279 -1.200 11.992 1.00 22.22 C ATOM 0 H ALA A 86 2.054 -1.420 10.680 1.00 70.25 H new ATOM 0 HA ALA A 86 2.794 -1.125 13.521 1.00 72.14 H new ATOM 0 HB1 ALA A 86 5.039 -0.713 12.603 1.00 22.22 H new ATOM 0 HB2 ALA A 86 4.392 -2.282 12.066 1.00 22.22 H new ATOM 0 HB3 ALA A 86 4.397 -0.893 10.953 1.00 22.22 H new ATOM 1151 N ILE A 87 3.596 1.419 13.128 1.00 21.25 N ATOM 1152 CA ILE A 87 3.565 2.866 13.107 1.00 44.40 C ATOM 1153 C ILE A 87 3.788 3.436 11.714 1.00 3.10 C ATOM 1154 O ILE A 87 4.695 3.017 10.974 1.00 40.20 O ATOM 1155 CB ILE A 87 4.475 3.542 14.193 1.00 31.22 C ATOM 1156 CG1 ILE A 87 5.878 2.877 14.342 1.00 11.51 C ATOM 1157 CG2 ILE A 87 3.761 3.575 15.533 1.00 21.05 C ATOM 1158 CD1 ILE A 87 6.845 3.070 13.191 1.00 63.54 C ATOM 0 H ILE A 87 4.332 1.020 13.710 1.00 21.25 H new ATOM 0 HA ILE A 87 2.547 3.131 13.392 1.00 44.40 H new ATOM 0 HB ILE A 87 4.658 4.559 13.845 1.00 31.22 H new ATOM 0 HG12 ILE A 87 6.344 3.265 15.248 1.00 11.51 H new ATOM 0 HG13 ILE A 87 5.734 1.807 14.490 1.00 11.51 H new ATOM 0 HG21 ILE A 87 4.404 4.046 16.276 1.00 21.05 H new ATOM 0 HG22 ILE A 87 2.837 4.145 15.439 1.00 21.05 H new ATOM 0 HG23 ILE A 87 3.529 2.557 15.847 1.00 21.05 H new ATOM 0 HD11 ILE A 87 7.783 2.561 13.414 1.00 63.54 H new ATOM 0 HD12 ILE A 87 6.414 2.654 12.280 1.00 63.54 H new ATOM 0 HD13 ILE A 87 7.034 4.134 13.049 1.00 63.54 H new ATOM 1170 N ASN A 88 2.930 4.331 11.336 1.00 71.25 N ATOM 1171 CA ASN A 88 2.993 4.919 10.031 1.00 41.02 C ATOM 1172 C ASN A 88 3.506 6.320 10.148 1.00 55.40 C ATOM 1173 O ASN A 88 2.734 7.274 10.204 1.00 11.32 O ATOM 1174 CB ASN A 88 1.620 4.918 9.327 1.00 1.55 C ATOM 1175 CG ASN A 88 0.979 3.545 9.249 1.00 11.33 C ATOM 1176 OD1 ASN A 88 1.233 2.777 8.328 1.00 5.12 O ATOM 1177 ND2 ASN A 88 0.113 3.240 10.189 1.00 20.22 N ATOM 0 H ASN A 88 2.168 4.675 11.920 1.00 71.25 H new ATOM 0 HA ASN A 88 3.669 4.319 9.422 1.00 41.02 H new ATOM 0 HB2 ASN A 88 0.949 5.594 9.857 1.00 1.55 H new ATOM 0 HB3 ASN A 88 1.738 5.313 8.318 1.00 1.55 H new ATOM 0 HD21 ASN A 88 -0.370 2.342 10.166 1.00 20.22 H new ATOM 0 HD22 ASN A 88 -0.076 3.901 10.942 1.00 20.22 H new ATOM 1184 N VAL A 89 4.804 6.450 10.236 1.00 73.03 N ATOM 1185 CA VAL A 89 5.431 7.750 10.381 1.00 21.33 C ATOM 1186 C VAL A 89 5.398 8.455 9.038 1.00 62.53 C ATOM 1187 O VAL A 89 5.115 9.654 8.942 1.00 53.44 O ATOM 1188 CB VAL A 89 6.900 7.627 10.881 1.00 55.04 C ATOM 1189 CG1 VAL A 89 7.527 9.000 11.106 1.00 5.41 C ATOM 1190 CG2 VAL A 89 6.962 6.802 12.157 1.00 52.41 C ATOM 0 H VAL A 89 5.458 5.667 10.210 1.00 73.03 H new ATOM 0 HA VAL A 89 4.881 8.324 11.127 1.00 21.33 H new ATOM 0 HB VAL A 89 7.473 7.119 10.106 1.00 55.04 H new ATOM 0 HG11 VAL A 89 8.553 8.879 11.455 1.00 5.41 H new ATOM 0 HG12 VAL A 89 7.526 9.558 10.170 1.00 5.41 H new ATOM 0 HG13 VAL A 89 6.951 9.545 11.854 1.00 5.41 H new ATOM 0 HG21 VAL A 89 7.997 6.727 12.492 1.00 52.41 H new ATOM 0 HG22 VAL A 89 6.364 7.283 12.931 1.00 52.41 H new ATOM 0 HG23 VAL A 89 6.570 5.804 11.964 1.00 52.41 H new ATOM 1200 N SER A 90 5.624 7.685 8.004 1.00 41.23 N ATOM 1201 CA SER A 90 5.619 8.182 6.652 1.00 41.35 C ATOM 1202 C SER A 90 4.181 8.386 6.137 1.00 63.12 C ATOM 1203 O SER A 90 3.971 8.946 5.061 1.00 20.24 O ATOM 1204 CB SER A 90 6.387 7.204 5.767 1.00 22.44 C ATOM 1205 OG SER A 90 7.682 6.967 6.313 1.00 14.22 O ATOM 0 H SER A 90 5.818 6.686 8.078 1.00 41.23 H new ATOM 0 HA SER A 90 6.106 9.157 6.624 1.00 41.35 H new ATOM 0 HB2 SER A 90 5.839 6.265 5.688 1.00 22.44 H new ATOM 0 HB3 SER A 90 6.477 7.607 4.758 1.00 22.44 H new ATOM 0 HG SER A 90 8.168 6.337 5.741 1.00 14.22 H new ATOM 1211 N GLY A 91 3.202 7.980 6.933 1.00 51.55 N ATOM 1212 CA GLY A 91 1.815 8.106 6.548 1.00 44.41 C ATOM 1213 C GLY A 91 1.261 9.474 6.881 1.00 2.11 C ATOM 1214 O GLY A 91 0.369 9.609 7.716 1.00 11.20 O ATOM 0 H GLY A 91 3.350 7.560 7.851 1.00 51.55 H new ATOM 0 HA2 GLY A 91 1.717 7.925 5.478 1.00 44.41 H new ATOM 0 HA3 GLY A 91 1.226 7.342 7.056 1.00 44.41 H new ATOM 1218 N LYS A 92 1.795 10.483 6.244 1.00 74.14 N ATOM 1219 CA LYS A 92 1.370 11.843 6.470 1.00 54.15 C ATOM 1220 C LYS A 92 0.669 12.394 5.240 1.00 34.25 C ATOM 1221 O LYS A 92 1.281 12.594 4.185 1.00 41.44 O ATOM 1222 CB LYS A 92 2.548 12.738 6.915 1.00 73.00 C ATOM 1223 CG LYS A 92 3.774 12.703 6.004 1.00 73.20 C ATOM 1224 CD LYS A 92 4.852 13.644 6.508 1.00 2.30 C ATOM 1225 CE LYS A 92 6.086 13.605 5.628 1.00 14.53 C ATOM 1226 NZ LYS A 92 7.116 14.553 6.091 1.00 33.03 N ATOM 0 H LYS A 92 2.538 10.387 5.552 1.00 74.14 H new ATOM 0 HA LYS A 92 0.651 11.844 7.289 1.00 54.15 H new ATOM 0 HB2 LYS A 92 2.195 13.767 6.983 1.00 73.00 H new ATOM 0 HB3 LYS A 92 2.852 12.438 7.918 1.00 73.00 H new ATOM 0 HG2 LYS A 92 4.166 11.687 5.955 1.00 73.20 H new ATOM 0 HG3 LYS A 92 3.487 12.983 4.990 1.00 73.20 H new ATOM 0 HD2 LYS A 92 4.461 14.661 6.542 1.00 2.30 H new ATOM 0 HD3 LYS A 92 5.124 13.373 7.528 1.00 2.30 H new ATOM 0 HE2 LYS A 92 6.497 12.595 5.622 1.00 14.53 H new ATOM 0 HE3 LYS A 92 5.808 13.842 4.601 1.00 14.53 H new ATOM 0 HZ1 LYS A 92 7.945 14.498 5.465 1.00 33.03 H new ATOM 0 HZ2 LYS A 92 6.732 15.519 6.073 1.00 33.03 H new ATOM 0 HZ3 LYS A 92 7.399 14.311 7.062 1.00 33.03 H new ATOM 1240 N VAL A 93 -0.608 12.606 5.359 1.00 61.11 N ATOM 1241 CA VAL A 93 -1.381 13.101 4.254 1.00 30.10 C ATOM 1242 C VAL A 93 -1.362 14.618 4.286 1.00 24.54 C ATOM 1243 O VAL A 93 -2.058 15.241 5.075 1.00 55.53 O ATOM 1244 CB VAL A 93 -2.843 12.561 4.287 1.00 15.21 C ATOM 1245 CG1 VAL A 93 -3.636 13.040 3.078 1.00 2.53 C ATOM 1246 CG2 VAL A 93 -2.847 11.038 4.348 1.00 24.53 C ATOM 0 H VAL A 93 -1.140 12.444 6.214 1.00 61.11 H new ATOM 0 HA VAL A 93 -0.937 12.747 3.324 1.00 30.10 H new ATOM 0 HB VAL A 93 -3.323 12.953 5.184 1.00 15.21 H new ATOM 0 HG11 VAL A 93 -4.651 12.647 3.130 1.00 2.53 H new ATOM 0 HG12 VAL A 93 -3.669 14.129 3.073 1.00 2.53 H new ATOM 0 HG13 VAL A 93 -3.156 12.687 2.165 1.00 2.53 H new ATOM 0 HG21 VAL A 93 -3.875 10.677 4.370 1.00 24.53 H new ATOM 0 HG22 VAL A 93 -2.341 10.637 3.470 1.00 24.53 H new ATOM 0 HG23 VAL A 93 -2.327 10.709 5.248 1.00 24.53 H new ATOM 1256 N LYS A 94 -0.521 15.196 3.477 1.00 2.44 N ATOM 1257 CA LYS A 94 -0.375 16.638 3.425 1.00 52.30 C ATOM 1258 C LYS A 94 -1.425 17.226 2.499 1.00 60.24 C ATOM 1259 O LYS A 94 -1.880 18.351 2.677 1.00 44.21 O ATOM 1260 CB LYS A 94 1.029 16.993 2.941 1.00 72.54 C ATOM 1261 CG LYS A 94 1.324 18.480 2.859 1.00 51.00 C ATOM 1262 CD LYS A 94 2.734 18.714 2.374 1.00 54.14 C ATOM 1263 CE LYS A 94 3.044 20.188 2.235 1.00 65.32 C ATOM 1264 NZ LYS A 94 4.433 20.405 1.787 1.00 14.51 N ATOM 0 H LYS A 94 0.086 14.689 2.832 1.00 2.44 H new ATOM 0 HA LYS A 94 -0.517 17.057 4.421 1.00 52.30 H new ATOM 0 HB2 LYS A 94 1.755 16.530 3.610 1.00 72.54 H new ATOM 0 HB3 LYS A 94 1.179 16.554 1.955 1.00 72.54 H new ATOM 0 HG2 LYS A 94 0.616 18.960 2.183 1.00 51.00 H new ATOM 0 HG3 LYS A 94 1.190 18.938 3.839 1.00 51.00 H new ATOM 0 HD2 LYS A 94 3.438 18.259 3.071 1.00 54.14 H new ATOM 0 HD3 LYS A 94 2.874 18.221 1.412 1.00 54.14 H new ATOM 0 HE2 LYS A 94 2.355 20.641 1.522 1.00 65.32 H new ATOM 0 HE3 LYS A 94 2.886 20.687 3.191 1.00 65.32 H new ATOM 0 HZ1 LYS A 94 4.615 21.425 1.701 1.00 14.51 H new ATOM 0 HZ2 LYS A 94 5.090 19.993 2.480 1.00 14.51 H new ATOM 0 HZ3 LYS A 94 4.575 19.949 0.863 1.00 14.51 H new ATOM 1278 N GLU A 95 -1.848 16.425 1.556 1.00 32.20 N ATOM 1279 CA GLU A 95 -2.828 16.810 0.534 1.00 12.31 C ATOM 1280 C GLU A 95 -4.266 16.859 1.081 1.00 73.12 C ATOM 1281 O GLU A 95 -5.220 17.018 0.329 1.00 20.42 O ATOM 1282 CB GLU A 95 -2.716 15.837 -0.631 1.00 72.54 C ATOM 1283 CG GLU A 95 -2.876 14.382 -0.222 1.00 2.43 C ATOM 1284 CD GLU A 95 -2.437 13.445 -1.299 1.00 33.21 C ATOM 1285 OE1 GLU A 95 -3.271 13.000 -2.099 1.00 73.43 O ATOM 1286 OE2 GLU A 95 -1.217 13.167 -1.389 1.00 22.20 O ATOM 0 H GLU A 95 -1.523 15.463 1.462 1.00 32.20 H new ATOM 0 HA GLU A 95 -2.604 17.823 0.200 1.00 12.31 H new ATOM 0 HB2 GLU A 95 -3.475 16.083 -1.374 1.00 72.54 H new ATOM 0 HB3 GLU A 95 -1.746 15.967 -1.111 1.00 72.54 H new ATOM 0 HG2 GLU A 95 -2.295 14.194 0.681 1.00 2.43 H new ATOM 0 HG3 GLU A 95 -3.920 14.188 0.024 1.00 2.43 H new ATOM 1293 N GLY A 96 -4.397 16.752 2.375 1.00 51.51 N ATOM 1294 CA GLY A 96 -5.677 16.780 3.014 1.00 13.12 C ATOM 1295 C GLY A 96 -5.599 16.037 4.301 1.00 50.40 C ATOM 1296 O GLY A 96 -4.717 16.317 5.121 1.00 3.21 O ATOM 0 H GLY A 96 -3.612 16.642 3.017 1.00 51.51 H new ATOM 0 HA2 GLY A 96 -5.985 17.810 3.193 1.00 13.12 H new ATOM 0 HA3 GLY A 96 -6.430 16.331 2.366 1.00 13.12 H new ATOM 1300 N GLU A 97 -6.460 15.078 4.469 1.00 74.13 N ATOM 1301 CA GLU A 97 -6.459 14.238 5.629 1.00 32.41 C ATOM 1302 C GLU A 97 -6.964 12.860 5.256 1.00 64.24 C ATOM 1303 O GLU A 97 -7.885 12.718 4.440 1.00 34.34 O ATOM 1304 CB GLU A 97 -7.252 14.869 6.781 1.00 25.22 C ATOM 1305 CG GLU A 97 -8.645 15.335 6.411 1.00 64.31 C ATOM 1306 CD GLU A 97 -9.303 16.098 7.530 1.00 63.22 C ATOM 1307 OE1 GLU A 97 -10.343 15.636 8.054 1.00 72.20 O ATOM 1308 OE2 GLU A 97 -8.782 17.161 7.922 1.00 1.21 O ATOM 0 H GLU A 97 -7.192 14.854 3.795 1.00 74.13 H new ATOM 0 HA GLU A 97 -5.438 14.133 5.995 1.00 32.41 H new ATOM 0 HB2 GLU A 97 -7.330 14.143 7.591 1.00 25.22 H new ATOM 0 HB3 GLU A 97 -6.690 15.719 7.168 1.00 25.22 H new ATOM 0 HG2 GLU A 97 -8.592 15.967 5.524 1.00 64.31 H new ATOM 0 HG3 GLU A 97 -9.258 14.472 6.151 1.00 64.31 H new ATOM 1315 N GLY A 98 -6.339 11.868 5.800 1.00 31.40 N ATOM 1316 CA GLY A 98 -6.659 10.518 5.495 1.00 65.41 C ATOM 1317 C GLY A 98 -5.734 9.587 6.224 1.00 40.14 C ATOM 1318 O GLY A 98 -5.025 10.011 7.140 1.00 70.33 O ATOM 0 H GLY A 98 -5.583 11.977 6.476 1.00 31.40 H new ATOM 0 HA2 GLY A 98 -7.691 10.309 5.775 1.00 65.41 H new ATOM 0 HA3 GLY A 98 -6.581 10.352 4.421 1.00 65.41 H new ATOM 1322 N TYR A 99 -5.703 8.358 5.814 1.00 70.44 N ATOM 1323 CA TYR A 99 -4.899 7.364 6.468 1.00 61.21 C ATOM 1324 C TYR A 99 -4.046 6.651 5.442 1.00 11.24 C ATOM 1325 O TYR A 99 -4.520 6.322 4.352 1.00 12.30 O ATOM 1326 CB TYR A 99 -5.772 6.302 7.165 1.00 72.03 C ATOM 1327 CG TYR A 99 -6.817 6.821 8.132 1.00 13.42 C ATOM 1328 CD1 TYR A 99 -6.480 7.209 9.422 1.00 25.51 C ATOM 1329 CD2 TYR A 99 -8.150 6.888 7.753 1.00 72.00 C ATOM 1330 CE1 TYR A 99 -7.449 7.652 10.306 1.00 22.54 C ATOM 1331 CE2 TYR A 99 -9.118 7.333 8.623 1.00 35.02 C ATOM 1332 CZ TYR A 99 -8.767 7.712 9.896 1.00 32.03 C ATOM 1333 OH TYR A 99 -9.744 8.143 10.771 1.00 73.45 O ATOM 0 H TYR A 99 -6.234 8.011 5.015 1.00 70.44 H new ATOM 0 HA TYR A 99 -4.286 7.874 7.211 1.00 61.21 H new ATOM 0 HB2 TYR A 99 -6.277 5.717 6.397 1.00 72.03 H new ATOM 0 HB3 TYR A 99 -5.115 5.620 7.705 1.00 72.03 H new ATOM 0 HD1 TYR A 99 -5.449 7.165 9.740 1.00 25.51 H new ATOM 0 HD2 TYR A 99 -8.433 6.585 6.756 1.00 72.00 H new ATOM 0 HE1 TYR A 99 -7.177 7.948 11.308 1.00 22.54 H new ATOM 0 HE2 TYR A 99 -10.149 7.384 8.307 1.00 35.02 H new ATOM 0 HH TYR A 99 -10.615 8.126 10.323 1.00 73.45 H new ATOM 1343 N LYS A 100 -2.809 6.447 5.770 1.00 52.02 N ATOM 1344 CA LYS A 100 -1.935 5.618 4.987 1.00 52.54 C ATOM 1345 C LYS A 100 -1.439 4.558 5.909 1.00 75.34 C ATOM 1346 O LYS A 100 -0.554 4.807 6.716 1.00 34.10 O ATOM 1347 CB LYS A 100 -0.752 6.378 4.373 1.00 43.32 C ATOM 1348 CG LYS A 100 -1.113 7.392 3.307 1.00 43.03 C ATOM 1349 CD LYS A 100 0.147 7.855 2.593 1.00 41.12 C ATOM 1350 CE LYS A 100 -0.152 8.757 1.404 1.00 51.21 C ATOM 1351 NZ LYS A 100 1.078 9.118 0.658 1.00 1.12 N ATOM 0 H LYS A 100 -2.369 6.853 6.596 1.00 52.02 H new ATOM 0 HA LYS A 100 -2.487 5.216 4.137 1.00 52.54 H new ATOM 0 HB2 LYS A 100 -0.218 6.891 5.172 1.00 43.32 H new ATOM 0 HB3 LYS A 100 -0.061 5.653 3.942 1.00 43.32 H new ATOM 0 HG2 LYS A 100 -1.807 6.951 2.591 1.00 43.03 H new ATOM 0 HG3 LYS A 100 -1.621 8.244 3.759 1.00 43.03 H new ATOM 0 HD2 LYS A 100 0.784 8.389 3.298 1.00 41.12 H new ATOM 0 HD3 LYS A 100 0.708 6.985 2.252 1.00 41.12 H new ATOM 0 HE2 LYS A 100 -0.848 8.254 0.733 1.00 51.21 H new ATOM 0 HE3 LYS A 100 -0.644 9.665 1.752 1.00 51.21 H new ATOM 0 HZ1 LYS A 100 0.830 9.733 -0.143 1.00 1.12 H new ATOM 0 HZ2 LYS A 100 1.733 9.621 1.291 1.00 1.12 H new ATOM 0 HZ3 LYS A 100 1.535 8.254 0.303 1.00 1.12 H new ATOM 1365 N LEU A 101 -2.045 3.419 5.836 1.00 3.13 N ATOM 1366 CA LEU A 101 -1.775 2.362 6.778 1.00 61.52 C ATOM 1367 C LEU A 101 -1.031 1.248 6.097 1.00 15.44 C ATOM 1368 O LEU A 101 -1.491 0.741 5.075 1.00 42.52 O ATOM 1369 CB LEU A 101 -3.103 1.830 7.321 1.00 31.32 C ATOM 1370 CG LEU A 101 -4.060 2.874 7.909 1.00 15.34 C ATOM 1371 CD1 LEU A 101 -5.365 2.230 8.323 1.00 74.22 C ATOM 1372 CD2 LEU A 101 -3.426 3.596 9.087 1.00 52.23 C ATOM 0 H LEU A 101 -2.741 3.187 5.127 1.00 3.13 H new ATOM 0 HA LEU A 101 -1.166 2.749 7.595 1.00 61.52 H new ATOM 0 HB2 LEU A 101 -3.618 1.308 6.515 1.00 31.32 H new ATOM 0 HB3 LEU A 101 -2.886 1.091 8.092 1.00 31.32 H new ATOM 0 HG LEU A 101 -4.268 3.611 7.133 1.00 15.34 H new ATOM 0 HD11 LEU A 101 -6.029 2.988 8.738 1.00 74.22 H new ATOM 0 HD12 LEU A 101 -5.836 1.771 7.454 1.00 74.22 H new ATOM 0 HD13 LEU A 101 -5.171 1.466 9.076 1.00 74.22 H new ATOM 0 HD21 LEU A 101 -4.127 4.330 9.484 1.00 52.23 H new ATOM 0 HD22 LEU A 101 -3.177 2.874 9.865 1.00 52.23 H new ATOM 0 HD23 LEU A 101 -2.518 4.102 8.758 1.00 52.23 H new ATOM 1384 N VAL A 102 0.112 0.888 6.623 1.00 44.10 N ATOM 1385 CA VAL A 102 0.858 -0.197 6.068 1.00 55.12 C ATOM 1386 C VAL A 102 0.967 -1.382 7.027 1.00 40.45 C ATOM 1387 O VAL A 102 1.429 -1.267 8.179 1.00 20.13 O ATOM 1388 CB VAL A 102 2.250 0.224 5.501 1.00 11.20 C ATOM 1389 CG1 VAL A 102 3.167 0.809 6.564 1.00 31.24 C ATOM 1390 CG2 VAL A 102 2.919 -0.934 4.764 1.00 31.31 C ATOM 0 H VAL A 102 0.541 1.334 7.434 1.00 44.10 H new ATOM 0 HA VAL A 102 0.277 -0.531 5.208 1.00 55.12 H new ATOM 0 HB VAL A 102 2.065 1.022 4.782 1.00 11.20 H new ATOM 0 HG11 VAL A 102 4.120 1.083 6.112 1.00 31.24 H new ATOM 0 HG12 VAL A 102 2.703 1.695 6.998 1.00 31.24 H new ATOM 0 HG13 VAL A 102 3.336 0.069 7.346 1.00 31.24 H new ATOM 0 HG21 VAL A 102 3.887 -0.611 4.380 1.00 31.31 H new ATOM 0 HG22 VAL A 102 3.061 -1.769 5.451 1.00 31.31 H new ATOM 0 HG23 VAL A 102 2.287 -1.251 3.934 1.00 31.31 H new ATOM 1400 N TRP A 103 0.504 -2.492 6.548 1.00 71.12 N ATOM 1401 CA TRP A 103 0.565 -3.745 7.243 1.00 75.34 C ATOM 1402 C TRP A 103 1.768 -4.494 6.767 1.00 51.24 C ATOM 1403 O TRP A 103 2.150 -4.390 5.599 1.00 35.42 O ATOM 1404 CB TRP A 103 -0.678 -4.598 6.990 1.00 62.35 C ATOM 1405 CG TRP A 103 -1.933 -4.046 7.552 1.00 0.14 C ATOM 1406 CD1 TRP A 103 -2.501 -4.362 8.746 1.00 74.20 C ATOM 1407 CD2 TRP A 103 -2.785 -3.091 6.941 1.00 54.14 C ATOM 1408 NE1 TRP A 103 -3.651 -3.644 8.919 1.00 32.14 N ATOM 1409 CE2 TRP A 103 -3.847 -2.857 7.818 1.00 21.21 C ATOM 1410 CE3 TRP A 103 -2.746 -2.408 5.734 1.00 0.14 C ATOM 1411 CZ2 TRP A 103 -4.860 -1.965 7.524 1.00 35.30 C ATOM 1412 CZ3 TRP A 103 -3.748 -1.527 5.443 1.00 55.32 C ATOM 1413 CH2 TRP A 103 -4.793 -1.310 6.332 1.00 75.22 C ATOM 0 H TRP A 103 0.058 -2.557 5.633 1.00 71.12 H new ATOM 0 HA TRP A 103 0.621 -3.540 8.312 1.00 75.34 H new ATOM 0 HB2 TRP A 103 -0.802 -4.724 5.915 1.00 62.35 H new ATOM 0 HB3 TRP A 103 -0.513 -5.590 7.411 1.00 62.35 H new ATOM 0 HD1 TRP A 103 -2.103 -5.075 9.453 1.00 74.20 H new ATOM 0 HE1 TRP A 103 -4.262 -3.688 9.735 1.00 32.14 H new ATOM 0 HE3 TRP A 103 -1.937 -2.570 5.037 1.00 0.14 H new ATOM 0 HZ2 TRP A 103 -5.674 -1.794 8.213 1.00 35.30 H new ATOM 0 HZ3 TRP A 103 -3.728 -0.990 4.506 1.00 55.32 H new ATOM 0 HH2 TRP A 103 -5.570 -0.606 6.072 1.00 75.22 H new ATOM 1424 N LYS A 104 2.372 -5.211 7.654 1.00 15.11 N ATOM 1425 CA LYS A 104 3.534 -5.995 7.353 1.00 53.02 C ATOM 1426 C LYS A 104 3.268 -7.401 7.854 1.00 44.14 C ATOM 1427 O LYS A 104 2.952 -7.598 9.048 1.00 72.31 O ATOM 1428 CB LYS A 104 4.749 -5.379 8.065 1.00 64.21 C ATOM 1429 CG LYS A 104 4.954 -3.900 7.733 1.00 2.24 C ATOM 1430 CD LYS A 104 5.978 -3.253 8.631 1.00 1.33 C ATOM 1431 CE LYS A 104 6.025 -1.739 8.421 1.00 13.22 C ATOM 1432 NZ LYS A 104 6.602 -1.341 7.113 1.00 61.45 N ATOM 0 H LYS A 104 2.071 -5.273 8.627 1.00 15.11 H new ATOM 0 HA LYS A 104 3.742 -6.017 6.283 1.00 53.02 H new ATOM 0 HB2 LYS A 104 4.626 -5.489 9.142 1.00 64.21 H new ATOM 0 HB3 LYS A 104 5.645 -5.935 7.788 1.00 64.21 H new ATOM 0 HG2 LYS A 104 5.270 -3.803 6.694 1.00 2.24 H new ATOM 0 HG3 LYS A 104 4.005 -3.373 7.828 1.00 2.24 H new ATOM 0 HD2 LYS A 104 5.741 -3.470 9.672 1.00 1.33 H new ATOM 0 HD3 LYS A 104 6.961 -3.680 8.432 1.00 1.33 H new ATOM 0 HE2 LYS A 104 5.015 -1.337 8.501 1.00 13.22 H new ATOM 0 HE3 LYS A 104 6.612 -1.287 9.221 1.00 13.22 H new ATOM 0 HZ1 LYS A 104 6.188 -0.436 6.812 1.00 61.45 H new ATOM 0 HZ2 LYS A 104 7.633 -1.236 7.206 1.00 61.45 H new ATOM 0 HZ3 LYS A 104 6.391 -2.072 6.404 1.00 61.45 H new ATOM 1446 N SER A 105 3.319 -8.353 6.960 1.00 1.24 N ATOM 1447 CA SER A 105 3.046 -9.744 7.271 1.00 64.30 C ATOM 1448 C SER A 105 4.187 -10.390 8.063 1.00 72.23 C ATOM 1449 O SER A 105 5.133 -9.698 8.507 1.00 32.33 O ATOM 1450 CB SER A 105 2.788 -10.500 5.975 1.00 1.21 C ATOM 1451 OG SER A 105 1.718 -9.914 5.257 1.00 73.25 O ATOM 0 H SER A 105 3.554 -8.189 5.981 1.00 1.24 H new ATOM 0 HA SER A 105 2.162 -9.791 7.906 1.00 64.30 H new ATOM 0 HB2 SER A 105 3.689 -10.497 5.361 1.00 1.21 H new ATOM 0 HB3 SER A 105 2.556 -11.542 6.196 1.00 1.21 H new ATOM 0 HG SER A 105 2.040 -9.122 4.779 1.00 73.25 H new ATOM 1457 N ALA A 106 4.080 -11.693 8.292 1.00 72.14 N ATOM 1458 CA ALA A 106 5.125 -12.431 8.966 1.00 23.40 C ATOM 1459 C ALA A 106 6.366 -12.416 8.100 1.00 54.11 C ATOM 1460 O ALA A 106 6.278 -12.150 6.903 1.00 14.34 O ATOM 1461 CB ALA A 106 4.680 -13.855 9.245 1.00 55.32 C ATOM 0 H ALA A 106 3.275 -12.256 8.017 1.00 72.14 H new ATOM 0 HA ALA A 106 5.345 -11.962 9.925 1.00 23.40 H new ATOM 0 HB1 ALA A 106 5.480 -14.393 9.752 1.00 55.32 H new ATOM 0 HB2 ALA A 106 3.793 -13.842 9.879 1.00 55.32 H new ATOM 0 HB3 ALA A 106 4.446 -14.354 8.305 1.00 55.32 H new ATOM 1467 N ALA A 107 7.490 -12.687 8.675 1.00 33.35 N ATOM 1468 CA ALA A 107 8.727 -12.611 7.947 1.00 22.34 C ATOM 1469 C ALA A 107 9.204 -13.985 7.496 1.00 11.23 C ATOM 1470 O ALA A 107 9.126 -14.960 8.252 1.00 51.31 O ATOM 1471 CB ALA A 107 9.767 -11.919 8.787 1.00 74.35 C ATOM 0 H ALA A 107 7.585 -12.965 9.652 1.00 33.35 H new ATOM 0 HA ALA A 107 8.558 -12.027 7.042 1.00 22.34 H new ATOM 0 HB1 ALA A 107 10.704 -11.863 8.233 1.00 74.35 H new ATOM 0 HB2 ALA A 107 9.428 -10.912 9.029 1.00 74.35 H new ATOM 0 HB3 ALA A 107 9.923 -12.481 9.708 1.00 74.35 H new ATOM 1477 N GLN A 108 9.660 -14.057 6.265 1.00 63.23 N ATOM 1478 CA GLN A 108 10.160 -15.277 5.672 1.00 64.52 C ATOM 1479 C GLN A 108 11.642 -15.116 5.418 1.00 41.43 C ATOM 1480 O GLN A 108 12.036 -14.289 4.582 1.00 65.14 O ATOM 1481 CB GLN A 108 9.498 -15.595 4.296 1.00 41.13 C ATOM 1482 CG GLN A 108 7.993 -15.911 4.261 1.00 2.44 C ATOM 1483 CD GLN A 108 7.077 -14.717 4.434 1.00 62.31 C ATOM 1484 OE1 GLN A 108 6.713 -14.041 3.460 1.00 34.20 O ATOM 1485 NE2 GLN A 108 6.630 -14.501 5.623 1.00 64.13 N ATOM 0 H GLN A 108 9.694 -13.254 5.637 1.00 63.23 H new ATOM 0 HA GLN A 108 9.933 -16.086 6.366 1.00 64.52 H new ATOM 0 HB2 GLN A 108 9.673 -14.743 3.639 1.00 41.13 H new ATOM 0 HB3 GLN A 108 10.025 -16.445 3.863 1.00 41.13 H new ATOM 0 HG2 GLN A 108 7.761 -16.391 3.310 1.00 2.44 H new ATOM 0 HG3 GLN A 108 7.772 -16.634 5.046 1.00 2.44 H new ATOM 0 HE21 GLN A 108 6.951 -15.077 6.401 1.00 64.13 H new ATOM 0 HE22 GLN A 108 5.955 -13.754 5.786 1.00 64.13 H new ATOM 1494 N ARG A 109 12.469 -15.848 6.123 1.00 45.30 N ATOM 1495 CA ARG A 109 13.888 -15.788 5.853 1.00 22.12 C ATOM 1496 C ARG A 109 14.176 -16.594 4.622 1.00 53.35 C ATOM 1497 O ARG A 109 14.074 -17.825 4.628 1.00 34.35 O ATOM 1498 CB ARG A 109 14.757 -16.260 7.017 1.00 2.03 C ATOM 1499 CG ARG A 109 14.697 -15.382 8.248 1.00 61.41 C ATOM 1500 CD ARG A 109 15.767 -15.787 9.243 1.00 60.12 C ATOM 1501 NE ARG A 109 17.125 -15.514 8.741 1.00 62.22 N ATOM 1502 CZ ARG A 109 18.166 -16.365 8.789 1.00 61.13 C ATOM 1503 NH1 ARG A 109 17.987 -17.627 9.150 1.00 31.40 N ATOM 1504 NH2 ARG A 109 19.377 -15.954 8.430 1.00 42.45 N ATOM 0 H ARG A 109 12.194 -16.481 6.874 1.00 45.30 H new ATOM 0 HA ARG A 109 14.148 -14.740 5.702 1.00 22.12 H new ATOM 0 HB2 ARG A 109 14.454 -17.270 7.293 1.00 2.03 H new ATOM 0 HB3 ARG A 109 15.792 -16.319 6.680 1.00 2.03 H new ATOM 0 HG2 ARG A 109 14.833 -14.338 7.964 1.00 61.41 H new ATOM 0 HG3 ARG A 109 13.713 -15.461 8.711 1.00 61.41 H new ATOM 0 HD2 ARG A 109 15.613 -15.250 10.179 1.00 60.12 H new ATOM 0 HD3 ARG A 109 15.670 -16.850 9.466 1.00 60.12 H new ATOM 0 HE ARG A 109 17.290 -14.600 8.320 1.00 62.22 H new ATOM 0 HH11 ARG A 109 17.054 -17.960 9.394 1.00 31.40 H new ATOM 0 HH12 ARG A 109 18.782 -18.265 9.184 1.00 31.40 H new ATOM 0 HH21 ARG A 109 19.518 -14.993 8.118 1.00 42.45 H new ATOM 0 HH22 ARG A 109 20.166 -16.599 8.466 1.00 42.45 H new ATOM 1518 N SER A 110 14.486 -15.906 3.578 1.00 74.23 N ATOM 1519 CA SER A 110 14.708 -16.505 2.317 1.00 70.33 C ATOM 1520 C SER A 110 16.206 -16.784 2.178 1.00 45.04 C ATOM 1521 O SER A 110 17.031 -16.090 2.792 1.00 2.01 O ATOM 1522 CB SER A 110 14.211 -15.526 1.246 1.00 42.15 C ATOM 1523 OG SER A 110 14.072 -16.142 -0.008 1.00 65.13 O ATOM 0 H SER A 110 14.593 -14.892 3.582 1.00 74.23 H new ATOM 0 HA SER A 110 14.174 -17.449 2.207 1.00 70.33 H new ATOM 0 HB2 SER A 110 13.252 -15.109 1.553 1.00 42.15 H new ATOM 0 HB3 SER A 110 14.909 -14.693 1.165 1.00 42.15 H new ATOM 0 HG SER A 110 14.552 -15.619 -0.684 1.00 65.13 H new ATOM 1529 N HIS A 111 16.566 -17.760 1.362 1.00 44.02 N ATOM 1530 CA HIS A 111 17.974 -18.173 1.193 1.00 20.03 C ATOM 1531 C HIS A 111 18.795 -17.135 0.414 1.00 42.32 C ATOM 1532 O HIS A 111 19.992 -17.297 0.202 1.00 35.10 O ATOM 1533 CB HIS A 111 18.085 -19.566 0.545 1.00 53.43 C ATOM 1534 CG HIS A 111 17.587 -20.706 1.406 1.00 5.12 C ATOM 1535 ND1 HIS A 111 18.387 -21.735 1.849 1.00 45.21 N ATOM 1536 CD2 HIS A 111 16.341 -20.978 1.879 1.00 34.05 C ATOM 1537 CE1 HIS A 111 17.632 -22.578 2.556 1.00 72.55 C ATOM 1538 NE2 HIS A 111 16.375 -22.165 2.606 1.00 12.54 N ATOM 0 H HIS A 111 15.906 -18.293 0.796 1.00 44.02 H new ATOM 0 HA HIS A 111 18.401 -18.236 2.194 1.00 20.03 H new ATOM 0 HB2 HIS A 111 17.524 -19.563 -0.389 1.00 53.43 H new ATOM 0 HB3 HIS A 111 19.128 -19.751 0.290 1.00 53.43 H new ATOM 0 HD2 HIS A 111 15.464 -20.369 1.716 1.00 34.05 H new ATOM 0 HE1 HIS A 111 17.998 -23.479 3.026 1.00 72.55 H new ATOM 0 HE2 HIS A 111 15.595 -22.621 3.078 1.00 12.54 H new ATOM 1546 N ASP A 112 18.133 -16.053 0.030 1.00 63.42 N ATOM 1547 CA ASP A 112 18.754 -14.902 -0.647 1.00 22.52 C ATOM 1548 C ASP A 112 19.545 -14.086 0.374 1.00 33.13 C ATOM 1549 O ASP A 112 20.180 -13.093 0.025 1.00 4.35 O ATOM 1550 CB ASP A 112 17.664 -13.971 -1.223 1.00 11.13 C ATOM 1551 CG ASP A 112 16.694 -14.643 -2.156 1.00 1.10 C ATOM 1552 OD1 ASP A 112 16.718 -14.376 -3.365 1.00 22.24 O ATOM 1553 OD2 ASP A 112 15.860 -15.424 -1.679 1.00 10.21 O ATOM 0 H ASP A 112 17.130 -15.939 0.179 1.00 63.42 H new ATOM 0 HA ASP A 112 19.397 -15.277 -1.444 1.00 22.52 H new ATOM 0 HB2 ASP A 112 17.107 -13.531 -0.396 1.00 11.13 H new ATOM 0 HB3 ASP A 112 18.148 -13.151 -1.753 1.00 11.13 H new ATOM 1558 N GLN A 113 19.438 -14.502 1.645 1.00 72.45 N ATOM 1559 CA GLN A 113 20.058 -13.857 2.811 1.00 2.22 C ATOM 1560 C GLN A 113 19.307 -12.619 3.227 1.00 34.21 C ATOM 1561 O GLN A 113 19.751 -11.853 4.079 1.00 62.33 O ATOM 1562 CB GLN A 113 21.562 -13.592 2.659 1.00 23.52 C ATOM 1563 CG GLN A 113 22.406 -14.848 2.662 1.00 0.02 C ATOM 1564 CD GLN A 113 23.882 -14.542 2.648 1.00 64.40 C ATOM 1565 OE1 GLN A 113 24.508 -14.381 3.701 1.00 21.32 O ATOM 1566 NE2 GLN A 113 24.460 -14.484 1.487 1.00 2.40 N ATOM 0 H GLN A 113 18.896 -15.329 1.898 1.00 72.45 H new ATOM 0 HA GLN A 113 19.980 -14.585 3.619 1.00 2.22 H new ATOM 0 HB2 GLN A 113 21.734 -13.052 1.728 1.00 23.52 H new ATOM 0 HB3 GLN A 113 21.891 -12.942 3.470 1.00 23.52 H new ATOM 0 HG2 GLN A 113 22.168 -15.442 3.545 1.00 0.02 H new ATOM 0 HG3 GLN A 113 22.154 -15.455 1.792 1.00 0.02 H new ATOM 0 HE21 GLN A 113 23.913 -14.622 0.637 1.00 2.40 H new ATOM 0 HE22 GLN A 113 25.461 -14.301 1.424 1.00 2.40 H new ATOM 1575 N LYS A 114 18.147 -12.450 2.661 1.00 54.44 N ATOM 1576 CA LYS A 114 17.301 -11.368 3.022 1.00 24.15 C ATOM 1577 C LYS A 114 15.954 -11.906 3.402 1.00 52.04 C ATOM 1578 O LYS A 114 15.581 -13.026 3.001 1.00 63.10 O ATOM 1579 CB LYS A 114 17.200 -10.294 1.929 1.00 43.43 C ATOM 1580 CG LYS A 114 16.560 -10.709 0.613 1.00 24.45 C ATOM 1581 CD LYS A 114 16.414 -9.481 -0.273 1.00 73.32 C ATOM 1582 CE LYS A 114 15.618 -9.749 -1.541 1.00 53.55 C ATOM 1583 NZ LYS A 114 16.344 -10.551 -2.533 1.00 63.22 N ATOM 0 H LYS A 114 17.768 -13.062 1.938 1.00 54.44 H new ATOM 0 HA LYS A 114 17.744 -10.861 3.879 1.00 24.15 H new ATOM 0 HB2 LYS A 114 16.635 -9.453 2.331 1.00 43.43 H new ATOM 0 HB3 LYS A 114 18.205 -9.930 1.717 1.00 43.43 H new ATOM 0 HG2 LYS A 114 17.173 -11.461 0.117 1.00 24.45 H new ATOM 0 HG3 LYS A 114 15.585 -11.161 0.794 1.00 24.45 H new ATOM 0 HD2 LYS A 114 15.926 -8.688 0.294 1.00 73.32 H new ATOM 0 HD3 LYS A 114 17.405 -9.116 -0.544 1.00 73.32 H new ATOM 0 HE2 LYS A 114 14.693 -10.262 -1.278 1.00 53.55 H new ATOM 0 HE3 LYS A 114 15.337 -8.797 -1.991 1.00 53.55 H new ATOM 0 HZ1 LYS A 114 15.743 -10.695 -3.370 1.00 63.22 H new ATOM 0 HZ2 LYS A 114 17.214 -10.054 -2.812 1.00 63.22 H new ATOM 0 HZ3 LYS A 114 16.590 -11.474 -2.121 1.00 63.22 H new ATOM 1597 N ILE A 115 15.234 -11.147 4.155 1.00 41.45 N ATOM 1598 CA ILE A 115 13.978 -11.584 4.662 1.00 53.42 C ATOM 1599 C ILE A 115 12.889 -10.970 3.802 1.00 61.30 C ATOM 1600 O ILE A 115 12.982 -9.798 3.425 1.00 4.13 O ATOM 1601 CB ILE A 115 13.753 -11.186 6.172 1.00 71.03 C ATOM 1602 CG1 ILE A 115 14.984 -11.436 7.081 1.00 15.45 C ATOM 1603 CG2 ILE A 115 12.591 -11.944 6.738 1.00 55.34 C ATOM 1604 CD1 ILE A 115 16.105 -10.407 6.982 1.00 51.03 C ATOM 0 H ILE A 115 15.500 -10.204 4.437 1.00 41.45 H new ATOM 0 HA ILE A 115 13.953 -12.673 4.623 1.00 53.42 H new ATOM 0 HB ILE A 115 13.565 -10.112 6.164 1.00 71.03 H new ATOM 0 HG12 ILE A 115 14.645 -11.477 8.116 1.00 15.45 H new ATOM 0 HG13 ILE A 115 15.395 -12.417 6.842 1.00 15.45 H new ATOM 0 HG21 ILE A 115 12.445 -11.661 7.781 1.00 55.34 H new ATOM 0 HG22 ILE A 115 11.691 -11.709 6.169 1.00 55.34 H new ATOM 0 HG23 ILE A 115 12.790 -13.014 6.677 1.00 55.34 H new ATOM 0 HD11 ILE A 115 16.913 -10.682 7.660 1.00 51.03 H new ATOM 0 HD12 ILE A 115 16.483 -10.378 5.960 1.00 51.03 H new ATOM 0 HD13 ILE A 115 15.721 -9.424 7.255 1.00 51.03 H new ATOM 1616 N ARG A 116 11.901 -11.757 3.476 1.00 70.11 N ATOM 1617 CA ARG A 116 10.793 -11.336 2.650 1.00 73.30 C ATOM 1618 C ARG A 116 9.538 -11.360 3.467 1.00 31.44 C ATOM 1619 O ARG A 116 9.465 -12.076 4.461 1.00 3.31 O ATOM 1620 CB ARG A 116 10.621 -12.260 1.434 1.00 21.53 C ATOM 1621 CG ARG A 116 11.669 -12.100 0.347 1.00 12.32 C ATOM 1622 CD ARG A 116 11.464 -13.119 -0.760 1.00 1.53 C ATOM 1623 NE ARG A 116 12.354 -12.889 -1.914 1.00 0.23 N ATOM 1624 CZ ARG A 116 12.761 -13.843 -2.770 1.00 72.12 C ATOM 1625 NH1 ARG A 116 12.421 -15.115 -2.566 1.00 50.31 N ATOM 1626 NH2 ARG A 116 13.501 -13.518 -3.826 1.00 3.13 N ATOM 0 H ARG A 116 11.838 -12.728 3.781 1.00 70.11 H new ATOM 0 HA ARG A 116 10.996 -10.328 2.288 1.00 73.30 H new ATOM 0 HB2 ARG A 116 10.633 -13.294 1.779 1.00 21.53 H new ATOM 0 HB3 ARG A 116 9.638 -12.081 0.998 1.00 21.53 H new ATOM 0 HG2 ARG A 116 11.618 -11.093 -0.067 1.00 12.32 H new ATOM 0 HG3 ARG A 116 12.664 -12.219 0.776 1.00 12.32 H new ATOM 0 HD2 ARG A 116 11.639 -14.120 -0.365 1.00 1.53 H new ATOM 0 HD3 ARG A 116 10.427 -13.085 -1.093 1.00 1.53 H new ATOM 0 HE ARG A 116 12.685 -11.937 -2.074 1.00 0.23 H new ATOM 0 HH11 ARG A 116 11.851 -15.367 -1.759 1.00 50.31 H new ATOM 0 HH12 ARG A 116 12.731 -15.836 -3.217 1.00 50.31 H new ATOM 0 HH21 ARG A 116 13.760 -12.545 -3.987 1.00 3.13 H new ATOM 0 HH22 ARG A 116 13.809 -14.242 -4.475 1.00 3.13 H new ATOM 1640 N TRP A 117 8.592 -10.571 3.078 1.00 25.33 N ATOM 1641 CA TRP A 117 7.300 -10.509 3.702 1.00 51.31 C ATOM 1642 C TRP A 117 6.367 -9.801 2.754 1.00 22.33 C ATOM 1643 O TRP A 117 6.793 -9.344 1.696 1.00 0.45 O ATOM 1644 CB TRP A 117 7.371 -9.776 5.070 1.00 4.14 C ATOM 1645 CG TRP A 117 8.046 -8.435 5.022 1.00 1.10 C ATOM 1646 CD1 TRP A 117 7.547 -7.297 4.491 1.00 33.31 C ATOM 1647 CD2 TRP A 117 9.337 -8.101 5.542 1.00 1.32 C ATOM 1648 NE1 TRP A 117 8.444 -6.270 4.630 1.00 0.05 N ATOM 1649 CE2 TRP A 117 9.553 -6.739 5.276 1.00 40.24 C ATOM 1650 CE3 TRP A 117 10.331 -8.826 6.205 1.00 12.35 C ATOM 1651 CZ2 TRP A 117 10.723 -6.087 5.647 1.00 51.32 C ATOM 1652 CZ3 TRP A 117 11.489 -8.174 6.575 1.00 4.40 C ATOM 1653 CH2 TRP A 117 11.676 -6.819 6.295 1.00 65.25 C ATOM 0 H TRP A 117 8.694 -9.929 2.292 1.00 25.33 H new ATOM 0 HA TRP A 117 6.935 -11.515 3.907 1.00 51.31 H new ATOM 0 HB2 TRP A 117 6.358 -9.646 5.451 1.00 4.14 H new ATOM 0 HB3 TRP A 117 7.900 -10.410 5.781 1.00 4.14 H new ATOM 0 HD1 TRP A 117 6.578 -7.209 4.023 1.00 33.31 H new ATOM 0 HE1 TRP A 117 8.306 -5.313 4.305 1.00 0.05 H new ATOM 0 HE3 TRP A 117 10.195 -9.875 6.423 1.00 12.35 H new ATOM 0 HZ2 TRP A 117 10.873 -5.040 5.431 1.00 51.32 H new ATOM 0 HZ3 TRP A 117 12.265 -8.721 7.090 1.00 4.40 H new ATOM 0 HH2 TRP A 117 12.595 -6.339 6.598 1.00 65.25 H new ATOM 1664 N ASP A 118 5.125 -9.745 3.065 1.00 72.42 N ATOM 1665 CA ASP A 118 4.225 -8.991 2.235 1.00 2.24 C ATOM 1666 C ASP A 118 3.857 -7.750 2.971 1.00 13.20 C ATOM 1667 O ASP A 118 3.679 -7.775 4.195 1.00 2.20 O ATOM 1668 CB ASP A 118 2.943 -9.756 1.881 1.00 63.22 C ATOM 1669 CG ASP A 118 3.196 -11.136 1.312 1.00 34.13 C ATOM 1670 OD1 ASP A 118 3.074 -12.145 2.043 1.00 31.32 O ATOM 1671 OD2 ASP A 118 3.529 -11.240 0.141 1.00 52.23 O ATOM 0 H ASP A 118 4.701 -10.200 3.873 1.00 72.42 H new ATOM 0 HA ASP A 118 4.735 -8.779 1.295 1.00 2.24 H new ATOM 0 HB2 ASP A 118 2.327 -9.849 2.775 1.00 63.22 H new ATOM 0 HB3 ASP A 118 2.371 -9.174 1.159 1.00 63.22 H new ATOM 1676 N GLU A 119 3.798 -6.670 2.275 1.00 44.15 N ATOM 1677 CA GLU A 119 3.338 -5.425 2.880 1.00 23.20 C ATOM 1678 C GLU A 119 2.105 -4.928 2.170 1.00 65.30 C ATOM 1679 O GLU A 119 1.893 -5.226 0.982 1.00 23.20 O ATOM 1680 CB GLU A 119 4.425 -4.323 2.978 1.00 30.20 C ATOM 1681 CG GLU A 119 5.533 -4.640 3.962 1.00 20.30 C ATOM 1682 CD GLU A 119 6.528 -3.511 4.169 1.00 41.32 C ATOM 1683 OE1 GLU A 119 6.156 -2.461 4.740 1.00 42.43 O ATOM 1684 OE2 GLU A 119 7.731 -3.672 3.819 1.00 45.53 O ATOM 0 H GLU A 119 4.056 -6.601 1.291 1.00 44.15 H new ATOM 0 HA GLU A 119 3.089 -5.660 3.915 1.00 23.20 H new ATOM 0 HB2 GLU A 119 4.862 -4.168 1.991 1.00 30.20 H new ATOM 0 HB3 GLU A 119 3.952 -3.385 3.268 1.00 30.20 H new ATOM 0 HG2 GLU A 119 5.087 -4.896 4.923 1.00 20.30 H new ATOM 0 HG3 GLU A 119 6.070 -5.523 3.614 1.00 20.30 H new ATOM 1691 N ALA A 120 1.283 -4.221 2.882 1.00 22.20 N ATOM 1692 CA ALA A 120 0.056 -3.707 2.347 1.00 34.23 C ATOM 1693 C ALA A 120 -0.151 -2.288 2.801 1.00 40.53 C ATOM 1694 O ALA A 120 -0.169 -2.023 3.975 1.00 21.34 O ATOM 1695 CB ALA A 120 -1.101 -4.569 2.795 1.00 31.41 C ATOM 0 H ALA A 120 1.445 -3.981 3.860 1.00 22.20 H new ATOM 0 HA ALA A 120 0.109 -3.723 1.258 1.00 34.23 H new ATOM 0 HB1 ALA A 120 -2.030 -4.173 2.385 1.00 31.41 H new ATOM 0 HB2 ALA A 120 -0.954 -5.589 2.440 1.00 31.41 H new ATOM 0 HB3 ALA A 120 -1.155 -4.568 3.884 1.00 31.41 H new ATOM 1701 N GLU A 121 -0.300 -1.404 1.874 1.00 14.42 N ATOM 1702 CA GLU A 121 -0.502 -0.002 2.158 1.00 72.24 C ATOM 1703 C GLU A 121 -1.891 0.407 1.691 1.00 51.52 C ATOM 1704 O GLU A 121 -2.156 0.435 0.512 1.00 33.15 O ATOM 1705 CB GLU A 121 0.521 0.851 1.396 1.00 32.13 C ATOM 1706 CG GLU A 121 1.976 0.569 1.703 1.00 1.24 C ATOM 1707 CD GLU A 121 2.899 1.446 0.901 1.00 62.01 C ATOM 1708 OE1 GLU A 121 3.658 0.933 0.054 1.00 30.12 O ATOM 1709 OE2 GLU A 121 2.858 2.686 1.065 1.00 11.53 O ATOM 0 H GLU A 121 -0.287 -1.626 0.879 1.00 14.42 H new ATOM 0 HA GLU A 121 -0.388 0.154 3.231 1.00 72.24 H new ATOM 0 HB2 GLU A 121 0.361 0.708 0.327 1.00 32.13 H new ATOM 0 HB3 GLU A 121 0.321 1.901 1.610 1.00 32.13 H new ATOM 0 HG2 GLU A 121 2.160 0.725 2.766 1.00 1.24 H new ATOM 0 HG3 GLU A 121 2.195 -0.478 1.492 1.00 1.24 H new ATOM 1716 N ALA A 122 -2.767 0.686 2.588 1.00 70.30 N ATOM 1717 CA ALA A 122 -4.066 1.186 2.224 1.00 20.32 C ATOM 1718 C ALA A 122 -4.063 2.696 2.336 1.00 44.00 C ATOM 1719 O ALA A 122 -3.615 3.255 3.348 1.00 3.45 O ATOM 1720 CB ALA A 122 -5.153 0.591 3.099 1.00 11.15 C ATOM 0 H ALA A 122 -2.617 0.579 3.591 1.00 70.30 H new ATOM 0 HA ALA A 122 -4.280 0.893 1.196 1.00 20.32 H new ATOM 0 HB1 ALA A 122 -6.122 0.990 2.798 1.00 11.15 H new ATOM 0 HB2 ALA A 122 -5.156 -0.493 2.988 1.00 11.15 H new ATOM 0 HB3 ALA A 122 -4.963 0.849 4.141 1.00 11.15 H new ATOM 1726 N TYR A 123 -4.526 3.345 1.303 1.00 31.01 N ATOM 1727 CA TYR A 123 -4.582 4.778 1.244 1.00 71.50 C ATOM 1728 C TYR A 123 -6.033 5.197 1.305 1.00 44.43 C ATOM 1729 O TYR A 123 -6.815 4.941 0.379 1.00 53.41 O ATOM 1730 CB TYR A 123 -3.955 5.292 -0.063 1.00 1.35 C ATOM 1731 CG TYR A 123 -2.549 4.794 -0.319 1.00 72.53 C ATOM 1732 CD1 TYR A 123 -2.329 3.623 -1.028 1.00 61.52 C ATOM 1733 CD2 TYR A 123 -1.451 5.486 0.151 1.00 61.22 C ATOM 1734 CE1 TYR A 123 -1.057 3.163 -1.258 1.00 60.42 C ATOM 1735 CE2 TYR A 123 -0.167 5.033 -0.076 1.00 71.12 C ATOM 1736 CZ TYR A 123 0.023 3.871 -0.780 1.00 61.40 C ATOM 1737 OH TYR A 123 1.297 3.410 -1.014 1.00 44.24 O ATOM 0 H TYR A 123 -4.881 2.884 0.465 1.00 31.01 H new ATOM 0 HA TYR A 123 -4.024 5.199 2.080 1.00 71.50 H new ATOM 0 HB2 TYR A 123 -4.590 4.996 -0.898 1.00 1.35 H new ATOM 0 HB3 TYR A 123 -3.944 6.382 -0.042 1.00 1.35 H new ATOM 0 HD1 TYR A 123 -3.172 3.064 -1.405 1.00 61.52 H new ATOM 0 HD2 TYR A 123 -1.599 6.400 0.707 1.00 61.22 H new ATOM 0 HE1 TYR A 123 -0.903 2.249 -1.812 1.00 60.42 H new ATOM 0 HE2 TYR A 123 0.681 5.588 0.297 1.00 71.12 H new ATOM 0 HH TYR A 123 1.807 3.419 -0.177 1.00 44.24 H new ATOM 1747 N ILE A 124 -6.397 5.786 2.375 1.00 73.30 N ATOM 1748 CA ILE A 124 -7.743 6.243 2.590 1.00 33.54 C ATOM 1749 C ILE A 124 -7.702 7.744 2.683 1.00 44.15 C ATOM 1750 O ILE A 124 -6.803 8.287 3.311 1.00 15.55 O ATOM 1751 CB ILE A 124 -8.310 5.654 3.925 1.00 4.10 C ATOM 1752 CG1 ILE A 124 -8.377 4.127 3.844 1.00 62.24 C ATOM 1753 CG2 ILE A 124 -9.673 6.244 4.289 1.00 73.11 C ATOM 1754 CD1 ILE A 124 -8.937 3.452 5.085 1.00 61.42 C ATOM 0 H ILE A 124 -5.766 5.976 3.154 1.00 73.30 H new ATOM 0 HA ILE A 124 -8.386 5.918 1.772 1.00 33.54 H new ATOM 0 HB ILE A 124 -7.624 5.936 4.724 1.00 4.10 H new ATOM 0 HG12 ILE A 124 -8.990 3.848 2.987 1.00 62.24 H new ATOM 0 HG13 ILE A 124 -7.375 3.742 3.658 1.00 62.24 H new ATOM 0 HG21 ILE A 124 -10.023 5.803 5.222 1.00 73.11 H new ATOM 0 HG22 ILE A 124 -9.582 7.323 4.409 1.00 73.11 H new ATOM 0 HG23 ILE A 124 -10.387 6.027 3.495 1.00 73.11 H new ATOM 0 HD11 ILE A 124 -8.947 2.372 4.938 1.00 61.42 H new ATOM 0 HD12 ILE A 124 -8.313 3.696 5.945 1.00 61.42 H new ATOM 0 HD13 ILE A 124 -9.953 3.804 5.263 1.00 61.42 H new ATOM 1766 N TRP A 125 -8.624 8.408 2.065 1.00 51.53 N ATOM 1767 CA TRP A 125 -8.668 9.828 2.165 1.00 35.53 C ATOM 1768 C TRP A 125 -10.014 10.160 2.713 1.00 21.54 C ATOM 1769 O TRP A 125 -10.974 9.402 2.498 1.00 41.54 O ATOM 1770 CB TRP A 125 -8.400 10.529 0.789 1.00 23.02 C ATOM 1771 CG TRP A 125 -9.619 10.969 -0.018 1.00 34.21 C ATOM 1772 CD1 TRP A 125 -10.046 12.258 -0.190 1.00 50.22 C ATOM 1773 CD2 TRP A 125 -10.548 10.147 -0.750 1.00 71.12 C ATOM 1774 NE1 TRP A 125 -11.165 12.286 -0.982 1.00 33.51 N ATOM 1775 CE2 TRP A 125 -11.495 11.011 -1.338 1.00 2.43 C ATOM 1776 CE3 TRP A 125 -10.670 8.781 -0.969 1.00 23.23 C ATOM 1777 CZ2 TRP A 125 -12.543 10.546 -2.127 1.00 13.34 C ATOM 1778 CZ3 TRP A 125 -11.708 8.319 -1.747 1.00 34.42 C ATOM 1779 CH2 TRP A 125 -12.632 9.198 -2.320 1.00 42.00 C ATOM 0 H TRP A 125 -9.354 7.991 1.488 1.00 51.53 H new ATOM 0 HA TRP A 125 -7.878 10.197 2.819 1.00 35.53 H new ATOM 0 HB2 TRP A 125 -7.781 11.407 0.972 1.00 23.02 H new ATOM 0 HB3 TRP A 125 -7.814 9.849 0.172 1.00 23.02 H new ATOM 0 HD1 TRP A 125 -9.570 13.128 0.237 1.00 50.22 H new ATOM 0 HE1 TRP A 125 -11.671 13.127 -1.261 1.00 33.51 H new ATOM 0 HE3 TRP A 125 -9.961 8.091 -0.535 1.00 23.23 H new ATOM 0 HZ2 TRP A 125 -13.257 11.225 -2.569 1.00 13.34 H new ATOM 0 HZ3 TRP A 125 -11.810 7.258 -1.918 1.00 34.42 H new ATOM 0 HH2 TRP A 125 -13.432 8.802 -2.928 1.00 42.00 H new ATOM 1790 N ARG A 126 -10.120 11.192 3.459 1.00 15.40 N ATOM 1791 CA ARG A 126 -11.397 11.530 3.918 1.00 31.02 C ATOM 1792 C ARG A 126 -11.786 12.863 3.384 1.00 21.45 C ATOM 1793 O ARG A 126 -11.015 13.818 3.377 1.00 54.42 O ATOM 1794 CB ARG A 126 -11.579 11.382 5.426 1.00 70.01 C ATOM 1795 CG ARG A 126 -10.864 12.382 6.257 1.00 43.40 C ATOM 1796 CD ARG A 126 -11.036 12.054 7.726 1.00 35.04 C ATOM 1797 NE ARG A 126 -10.433 13.051 8.596 1.00 13.41 N ATOM 1798 CZ ARG A 126 -9.933 12.830 9.815 1.00 74.44 C ATOM 1799 NH1 ARG A 126 -9.863 11.593 10.306 1.00 43.51 N ATOM 1800 NH2 ARG A 126 -9.487 13.851 10.528 1.00 60.13 N ATOM 0 H ARG A 126 -9.356 11.800 3.756 1.00 15.40 H new ATOM 0 HA ARG A 126 -12.098 10.796 3.522 1.00 31.02 H new ATOM 0 HB2 ARG A 126 -12.643 11.441 5.653 1.00 70.01 H new ATOM 0 HB3 ARG A 126 -11.245 10.387 5.719 1.00 70.01 H new ATOM 0 HG2 ARG A 126 -9.805 12.390 5.999 1.00 43.40 H new ATOM 0 HG3 ARG A 126 -11.250 13.380 6.051 1.00 43.40 H new ATOM 0 HD2 ARG A 126 -12.099 11.973 7.954 1.00 35.04 H new ATOM 0 HD3 ARG A 126 -10.591 11.081 7.932 1.00 35.04 H new ATOM 0 HE ARG A 126 -10.388 14.007 8.243 1.00 13.41 H new ATOM 0 HH11 ARG A 126 -10.193 10.804 9.750 1.00 43.51 H new ATOM 0 HH12 ARG A 126 -9.479 11.435 11.238 1.00 43.51 H new ATOM 0 HH21 ARG A 126 -9.527 14.796 10.146 1.00 60.13 H new ATOM 0 HH22 ARG A 126 -9.103 13.693 11.460 1.00 60.13 H new ATOM 1814 N ARG A 127 -12.950 12.884 2.916 1.00 41.03 N ATOM 1815 CA ARG A 127 -13.515 13.978 2.219 1.00 45.23 C ATOM 1816 C ARG A 127 -14.044 14.999 3.208 1.00 72.11 C ATOM 1817 O ARG A 127 -14.555 14.625 4.273 1.00 61.31 O ATOM 1818 CB ARG A 127 -14.626 13.416 1.326 1.00 54.24 C ATOM 1819 CG ARG A 127 -15.405 14.416 0.501 1.00 41.12 C ATOM 1820 CD ARG A 127 -16.445 13.706 -0.354 1.00 30.33 C ATOM 1821 NE ARG A 127 -17.388 14.646 -0.955 1.00 55.22 N ATOM 1822 CZ ARG A 127 -18.358 14.333 -1.817 1.00 10.24 C ATOM 1823 NH1 ARG A 127 -18.466 13.096 -2.282 1.00 43.34 N ATOM 1824 NH2 ARG A 127 -19.204 15.268 -2.219 1.00 21.00 N ATOM 0 H ARG A 127 -13.590 12.095 3.006 1.00 41.03 H new ATOM 0 HA ARG A 127 -12.776 14.490 1.603 1.00 45.23 H new ATOM 0 HB2 ARG A 127 -14.182 12.688 0.648 1.00 54.24 H new ATOM 0 HB3 ARG A 127 -15.330 12.875 1.958 1.00 54.24 H new ATOM 0 HG2 ARG A 127 -15.895 15.135 1.158 1.00 41.12 H new ATOM 0 HG3 ARG A 127 -14.724 14.979 -0.137 1.00 41.12 H new ATOM 0 HD2 ARG A 127 -15.944 13.141 -1.140 1.00 30.33 H new ATOM 0 HD3 ARG A 127 -16.989 12.987 0.258 1.00 30.33 H new ATOM 0 HE ARG A 127 -17.297 15.628 -0.693 1.00 55.22 H new ATOM 0 HH11 ARG A 127 -17.806 12.379 -1.981 1.00 43.34 H new ATOM 0 HH12 ARG A 127 -19.209 12.862 -2.940 1.00 43.34 H new ATOM 0 HH21 ARG A 127 -19.113 16.222 -1.870 1.00 21.00 H new ATOM 0 HH22 ARG A 127 -19.947 15.034 -2.878 1.00 21.00 H new ATOM 1838 N LYS A 128 -13.925 16.271 2.849 1.00 74.12 N ATOM 1839 CA LYS A 128 -14.396 17.424 3.650 1.00 31.24 C ATOM 1840 C LYS A 128 -15.851 17.252 4.129 1.00 31.31 C ATOM 1841 O LYS A 128 -16.225 17.690 5.212 1.00 43.44 O ATOM 1842 CB LYS A 128 -14.286 18.708 2.806 1.00 21.13 C ATOM 1843 CG LYS A 128 -14.974 18.600 1.444 1.00 12.34 C ATOM 1844 CD LYS A 128 -14.965 19.907 0.680 1.00 1.35 C ATOM 1845 CE LYS A 128 -15.587 19.749 -0.710 1.00 43.33 C ATOM 1846 NZ LYS A 128 -16.992 19.262 -0.668 1.00 43.11 N ATOM 0 H LYS A 128 -13.488 16.551 1.971 1.00 74.12 H new ATOM 0 HA LYS A 128 -13.765 17.489 4.536 1.00 31.24 H new ATOM 0 HB2 LYS A 128 -14.724 19.538 3.361 1.00 21.13 H new ATOM 0 HB3 LYS A 128 -13.233 18.946 2.655 1.00 21.13 H new ATOM 0 HG2 LYS A 128 -14.477 17.833 0.850 1.00 12.34 H new ATOM 0 HG3 LYS A 128 -16.004 18.274 1.587 1.00 12.34 H new ATOM 0 HD2 LYS A 128 -15.515 20.662 1.242 1.00 1.35 H new ATOM 0 HD3 LYS A 128 -13.940 20.266 0.583 1.00 1.35 H new ATOM 0 HE2 LYS A 128 -15.556 20.708 -1.226 1.00 43.33 H new ATOM 0 HE3 LYS A 128 -14.985 19.053 -1.294 1.00 43.33 H new ATOM 0 HZ1 LYS A 128 -17.429 19.383 -1.604 1.00 43.11 H new ATOM 0 HZ2 LYS A 128 -17.003 18.255 -0.408 1.00 43.11 H new ATOM 0 HZ3 LYS A 128 -17.528 19.807 0.037 1.00 43.11 H new ATOM 1860 N ASP A 129 -16.634 16.573 3.325 1.00 44.25 N ATOM 1861 CA ASP A 129 -18.053 16.361 3.573 1.00 51.22 C ATOM 1862 C ASP A 129 -18.286 15.290 4.640 1.00 74.40 C ATOM 1863 O ASP A 129 -19.423 14.956 4.959 1.00 23.32 O ATOM 1864 CB ASP A 129 -18.752 15.976 2.265 1.00 42.01 C ATOM 1865 CG ASP A 129 -18.533 16.999 1.169 1.00 0.12 C ATOM 1866 OD1 ASP A 129 -19.348 17.906 1.001 1.00 63.43 O ATOM 1867 OD2 ASP A 129 -17.512 16.905 0.454 1.00 21.33 O ATOM 0 H ASP A 129 -16.303 16.141 2.462 1.00 44.25 H new ATOM 0 HA ASP A 129 -18.476 17.292 3.950 1.00 51.22 H new ATOM 0 HB2 ASP A 129 -18.383 15.006 1.931 1.00 42.01 H new ATOM 0 HB3 ASP A 129 -19.821 15.866 2.447 1.00 42.01 H new ATOM 1872 N GLY A 130 -17.208 14.746 5.177 1.00 5.44 N ATOM 1873 CA GLY A 130 -17.308 13.768 6.240 1.00 33.24 C ATOM 1874 C GLY A 130 -17.153 12.354 5.743 1.00 45.02 C ATOM 1875 O GLY A 130 -17.173 11.409 6.520 1.00 1.25 O ATOM 0 H GLY A 130 -16.254 14.967 4.892 1.00 5.44 H new ATOM 0 HA2 GLY A 130 -16.543 13.972 6.989 1.00 33.24 H new ATOM 0 HA3 GLY A 130 -18.274 13.872 6.734 1.00 33.24 H new ATOM 1879 N SER A 131 -16.985 12.204 4.454 1.00 32.15 N ATOM 1880 CA SER A 131 -16.904 10.895 3.859 1.00 74.51 C ATOM 1881 C SER A 131 -15.470 10.339 3.911 1.00 51.32 C ATOM 1882 O SER A 131 -14.613 10.755 3.139 1.00 23.10 O ATOM 1883 CB SER A 131 -17.374 10.967 2.407 1.00 21.45 C ATOM 1884 OG SER A 131 -18.564 11.743 2.294 1.00 60.31 O ATOM 0 H SER A 131 -16.901 12.977 3.793 1.00 32.15 H new ATOM 0 HA SER A 131 -17.546 10.223 4.428 1.00 74.51 H new ATOM 0 HB2 SER A 131 -16.590 11.404 1.788 1.00 21.45 H new ATOM 0 HB3 SER A 131 -17.554 9.961 2.029 1.00 21.45 H new ATOM 0 HG SER A 131 -18.845 11.776 1.356 1.00 60.31 H new ATOM 1890 N CYS A 132 -15.212 9.460 4.837 1.00 32.01 N ATOM 1891 CA CYS A 132 -13.945 8.768 4.896 1.00 42.20 C ATOM 1892 C CYS A 132 -14.046 7.648 3.882 1.00 72.45 C ATOM 1893 O CYS A 132 -14.967 6.816 3.959 1.00 34.04 O ATOM 1894 CB CYS A 132 -13.711 8.218 6.314 1.00 74.03 C ATOM 1895 SG CYS A 132 -12.113 7.413 6.581 1.00 35.32 S ATOM 0 H CYS A 132 -15.868 9.200 5.573 1.00 32.01 H new ATOM 0 HA CYS A 132 -13.104 9.425 4.672 1.00 42.20 H new ATOM 0 HB2 CYS A 132 -13.808 9.039 7.024 1.00 74.03 H new ATOM 0 HB3 CYS A 132 -14.501 7.503 6.543 1.00 74.03 H new ATOM 0 HG CYS A 132 -12.117 6.813 7.734 1.00 35.32 H new ATOM 1901 N TRP A 133 -13.171 7.630 2.904 1.00 64.32 N ATOM 1902 CA TRP A 133 -13.354 6.742 1.845 1.00 72.13 C ATOM 1903 C TRP A 133 -12.032 6.132 1.400 1.00 3.34 C ATOM 1904 O TRP A 133 -10.968 6.742 1.517 1.00 12.23 O ATOM 1905 CB TRP A 133 -13.962 7.547 0.731 1.00 71.43 C ATOM 1906 CG TRP A 133 -14.849 6.793 -0.150 1.00 32.31 C ATOM 1907 CD1 TRP A 133 -14.508 6.098 -1.232 1.00 51.22 C ATOM 1908 CD2 TRP A 133 -16.244 6.687 -0.005 1.00 1.11 C ATOM 1909 NE1 TRP A 133 -15.630 5.551 -1.811 1.00 63.11 N ATOM 1910 CE2 TRP A 133 -16.723 5.914 -1.059 1.00 54.14 C ATOM 1911 CE3 TRP A 133 -17.125 7.188 0.925 1.00 2.50 C ATOM 1912 CZ2 TRP A 133 -18.077 5.626 -1.208 1.00 22.22 C ATOM 1913 CZ3 TRP A 133 -18.463 6.912 0.791 1.00 63.34 C ATOM 1914 CH2 TRP A 133 -18.932 6.135 -0.273 1.00 51.31 C ATOM 0 H TRP A 133 -12.343 8.223 2.844 1.00 64.32 H new ATOM 0 HA TRP A 133 -13.995 5.911 2.140 1.00 72.13 H new ATOM 0 HB2 TRP A 133 -14.521 8.377 1.163 1.00 71.43 H new ATOM 0 HB3 TRP A 133 -13.160 7.980 0.133 1.00 71.43 H new ATOM 0 HD1 TRP A 133 -13.500 5.981 -1.601 1.00 51.22 H new ATOM 0 HE1 TRP A 133 -15.648 4.975 -2.653 1.00 63.11 H new ATOM 0 HE3 TRP A 133 -16.769 7.790 1.748 1.00 2.50 H new ATOM 0 HZ2 TRP A 133 -18.436 5.024 -2.030 1.00 22.22 H new ATOM 0 HZ3 TRP A 133 -19.163 7.300 1.517 1.00 63.34 H new ATOM 0 HH2 TRP A 133 -19.990 5.934 -0.357 1.00 51.31 H new ATOM 1925 N LEU A 134 -12.119 4.939 0.897 1.00 2.33 N ATOM 1926 CA LEU A 134 -10.960 4.208 0.371 1.00 51.53 C ATOM 1927 C LEU A 134 -10.477 4.891 -0.901 1.00 32.54 C ATOM 1928 O LEU A 134 -11.215 4.953 -1.887 1.00 72.40 O ATOM 1929 CB LEU A 134 -11.323 2.731 0.043 1.00 2.45 C ATOM 1930 CG LEU A 134 -11.476 1.706 1.204 1.00 55.41 C ATOM 1931 CD1 LEU A 134 -10.142 1.407 1.854 1.00 31.52 C ATOM 1932 CD2 LEU A 134 -12.486 2.161 2.252 1.00 4.15 C ATOM 0 H LEU A 134 -12.996 4.423 0.830 1.00 2.33 H new ATOM 0 HA LEU A 134 -10.180 4.211 1.132 1.00 51.53 H new ATOM 0 HB2 LEU A 134 -12.262 2.740 -0.511 1.00 2.45 H new ATOM 0 HB3 LEU A 134 -10.558 2.348 -0.632 1.00 2.45 H new ATOM 0 HG LEU A 134 -11.859 0.789 0.756 1.00 55.41 H new ATOM 0 HD11 LEU A 134 -10.283 0.688 2.661 1.00 31.52 H new ATOM 0 HD12 LEU A 134 -9.461 0.990 1.112 1.00 31.52 H new ATOM 0 HD13 LEU A 134 -9.720 2.327 2.258 1.00 31.52 H new ATOM 0 HD21 LEU A 134 -12.556 1.411 3.040 1.00 4.15 H new ATOM 0 HD22 LEU A 134 -12.163 3.109 2.681 1.00 4.15 H new ATOM 0 HD23 LEU A 134 -13.463 2.288 1.785 1.00 4.15 H new ATOM 1944 N HIS A 135 -9.263 5.411 -0.887 1.00 31.23 N ATOM 1945 CA HIS A 135 -8.752 6.089 -2.056 1.00 55.34 C ATOM 1946 C HIS A 135 -8.180 5.062 -3.010 1.00 72.41 C ATOM 1947 O HIS A 135 -8.570 4.980 -4.179 1.00 71.13 O ATOM 1948 CB HIS A 135 -7.671 7.141 -1.697 1.00 71.00 C ATOM 1949 CG HIS A 135 -7.231 7.989 -2.870 1.00 74.01 C ATOM 1950 ND1 HIS A 135 -6.031 7.830 -3.541 1.00 22.33 N ATOM 1951 CD2 HIS A 135 -7.864 9.020 -3.484 1.00 31.12 C ATOM 1952 CE1 HIS A 135 -5.974 8.742 -4.514 1.00 54.25 C ATOM 1953 NE2 HIS A 135 -7.067 9.495 -4.528 1.00 14.14 N ATOM 0 H HIS A 135 -8.625 5.377 -0.092 1.00 31.23 H new ATOM 0 HA HIS A 135 -9.577 6.625 -2.525 1.00 55.34 H new ATOM 0 HB2 HIS A 135 -8.058 7.793 -0.914 1.00 71.00 H new ATOM 0 HB3 HIS A 135 -6.802 6.629 -1.285 1.00 71.00 H new ATOM 0 HD2 HIS A 135 -8.832 9.412 -3.209 1.00 31.12 H new ATOM 0 HE1 HIS A 135 -5.147 8.853 -5.200 1.00 54.25 H new ATOM 0 HE2 HIS A 135 -7.280 10.260 -5.167 1.00 14.14 H new ATOM 1961 N SER A 136 -7.245 4.295 -2.508 1.00 11.05 N ATOM 1962 CA SER A 136 -6.571 3.248 -3.248 1.00 13.10 C ATOM 1963 C SER A 136 -5.883 2.386 -2.227 1.00 1.50 C ATOM 1964 O SER A 136 -5.639 2.842 -1.134 1.00 24.41 O ATOM 1965 CB SER A 136 -5.483 3.845 -4.170 1.00 43.22 C ATOM 1966 OG SER A 136 -5.981 4.910 -4.961 1.00 42.33 O ATOM 0 H SER A 136 -6.919 4.381 -1.545 1.00 11.05 H new ATOM 0 HA SER A 136 -7.287 2.698 -3.859 1.00 13.10 H new ATOM 0 HB2 SER A 136 -4.651 4.203 -3.564 1.00 43.22 H new ATOM 0 HB3 SER A 136 -5.091 3.063 -4.821 1.00 43.22 H new ATOM 0 HG SER A 136 -5.955 5.742 -4.443 1.00 42.33 H new ATOM 1972 N VAL A 137 -5.604 1.168 -2.535 1.00 20.55 N ATOM 1973 CA VAL A 137 -4.799 0.379 -1.639 1.00 74.14 C ATOM 1974 C VAL A 137 -3.712 -0.268 -2.461 1.00 75.03 C ATOM 1975 O VAL A 137 -3.813 -0.311 -3.677 1.00 53.54 O ATOM 1976 CB VAL A 137 -5.580 -0.671 -0.769 1.00 53.52 C ATOM 1977 CG1 VAL A 137 -6.828 -0.088 -0.114 1.00 15.12 C ATOM 1978 CG2 VAL A 137 -5.889 -1.933 -1.510 1.00 72.33 C ATOM 0 H VAL A 137 -5.910 0.693 -3.384 1.00 20.55 H new ATOM 0 HA VAL A 137 -4.388 1.052 -0.887 1.00 74.14 H new ATOM 0 HB VAL A 137 -4.895 -0.939 0.035 1.00 53.52 H new ATOM 0 HG11 VAL A 137 -7.325 -0.860 0.473 1.00 15.12 H new ATOM 0 HG12 VAL A 137 -6.544 0.738 0.538 1.00 15.12 H new ATOM 0 HG13 VAL A 137 -7.508 0.275 -0.885 1.00 15.12 H new ATOM 0 HG21 VAL A 137 -6.429 -2.617 -0.855 1.00 72.33 H new ATOM 0 HG22 VAL A 137 -6.504 -1.703 -2.380 1.00 72.33 H new ATOM 0 HG23 VAL A 137 -4.960 -2.400 -1.836 1.00 72.33 H new ATOM 1988 N LYS A 138 -2.700 -0.721 -1.831 1.00 32.22 N ATOM 1989 CA LYS A 138 -1.549 -1.239 -2.493 1.00 32.23 C ATOM 1990 C LYS A 138 -1.010 -2.430 -1.739 1.00 4.14 C ATOM 1991 O LYS A 138 -0.947 -2.422 -0.524 1.00 22.15 O ATOM 1992 CB LYS A 138 -0.523 -0.131 -2.507 1.00 0.33 C ATOM 1993 CG LYS A 138 0.838 -0.469 -3.045 1.00 31.23 C ATOM 1994 CD LYS A 138 1.755 0.674 -2.710 1.00 21.20 C ATOM 1995 CE LYS A 138 3.180 0.432 -3.100 1.00 35.02 C ATOM 1996 NZ LYS A 138 4.031 1.509 -2.574 1.00 12.20 N ATOM 0 H LYS A 138 -2.638 -0.747 -0.813 1.00 32.22 H new ATOM 0 HA LYS A 138 -1.792 -1.565 -3.504 1.00 32.23 H new ATOM 0 HB2 LYS A 138 -0.924 0.695 -3.095 1.00 0.33 H new ATOM 0 HB3 LYS A 138 -0.403 0.233 -1.486 1.00 0.33 H new ATOM 0 HG2 LYS A 138 1.205 -1.396 -2.604 1.00 31.23 H new ATOM 0 HG3 LYS A 138 0.796 -0.623 -4.123 1.00 31.23 H new ATOM 0 HD2 LYS A 138 1.398 1.574 -3.210 1.00 21.20 H new ATOM 0 HD3 LYS A 138 1.708 0.865 -1.638 1.00 21.20 H new ATOM 0 HE2 LYS A 138 3.514 -0.530 -2.712 1.00 35.02 H new ATOM 0 HE3 LYS A 138 3.266 0.385 -4.186 1.00 35.02 H new ATOM 0 HZ1 LYS A 138 5.017 1.345 -2.862 1.00 12.20 H new ATOM 0 HZ2 LYS A 138 3.708 2.423 -2.951 1.00 12.20 H new ATOM 0 HZ3 LYS A 138 3.972 1.523 -1.536 1.00 12.20 H new ATOM 2010 N PHE A 139 -0.651 -3.440 -2.453 1.00 71.41 N ATOM 2011 CA PHE A 139 -0.064 -4.611 -1.880 1.00 15.32 C ATOM 2012 C PHE A 139 1.267 -4.846 -2.520 1.00 5.14 C ATOM 2013 O PHE A 139 1.431 -4.627 -3.722 1.00 34.22 O ATOM 2014 CB PHE A 139 -0.950 -5.829 -2.112 1.00 63.35 C ATOM 2015 CG PHE A 139 -2.327 -5.653 -1.588 1.00 52.55 C ATOM 2016 CD1 PHE A 139 -2.537 -5.503 -0.237 1.00 72.41 C ATOM 2017 CD2 PHE A 139 -3.409 -5.627 -2.441 1.00 43.53 C ATOM 2018 CE1 PHE A 139 -3.794 -5.328 0.270 1.00 30.34 C ATOM 2019 CE2 PHE A 139 -4.685 -5.455 -1.941 1.00 35.52 C ATOM 2020 CZ PHE A 139 -4.878 -5.306 -0.580 1.00 74.35 C ATOM 0 H PHE A 139 -0.757 -3.481 -3.467 1.00 71.41 H new ATOM 0 HA PHE A 139 0.048 -4.461 -0.806 1.00 15.32 H new ATOM 0 HB2 PHE A 139 -0.998 -6.038 -3.181 1.00 63.35 H new ATOM 0 HB3 PHE A 139 -0.495 -6.698 -1.637 1.00 63.35 H new ATOM 0 HD1 PHE A 139 -1.693 -5.524 0.436 1.00 72.41 H new ATOM 0 HD2 PHE A 139 -3.259 -5.742 -3.504 1.00 43.53 H new ATOM 0 HE1 PHE A 139 -3.937 -5.207 1.334 1.00 30.34 H new ATOM 0 HE2 PHE A 139 -5.531 -5.437 -2.612 1.00 35.52 H new ATOM 0 HZ PHE A 139 -5.874 -5.173 -0.185 1.00 74.35 H new ATOM 2030 N ILE A 140 2.218 -5.257 -1.748 1.00 72.20 N ATOM 2031 CA ILE A 140 3.516 -5.583 -2.255 1.00 13.30 C ATOM 2032 C ILE A 140 3.912 -6.913 -1.681 1.00 2.43 C ATOM 2033 O ILE A 140 4.332 -7.032 -0.527 1.00 23.21 O ATOM 2034 CB ILE A 140 4.586 -4.458 -2.019 1.00 44.45 C ATOM 2035 CG1 ILE A 140 4.518 -3.906 -0.583 1.00 5.35 C ATOM 2036 CG2 ILE A 140 4.436 -3.338 -3.054 1.00 61.33 C ATOM 2037 CD1 ILE A 140 5.483 -2.768 -0.288 1.00 62.22 C ATOM 0 H ILE A 140 2.119 -5.378 -0.740 1.00 72.20 H new ATOM 0 HA ILE A 140 3.469 -5.655 -3.342 1.00 13.30 H new ATOM 0 HB ILE A 140 5.572 -4.905 -2.147 1.00 44.45 H new ATOM 0 HG12 ILE A 140 3.502 -3.561 -0.390 1.00 5.35 H new ATOM 0 HG13 ILE A 140 4.716 -4.721 0.114 1.00 5.35 H new ATOM 0 HG21 ILE A 140 5.188 -2.570 -2.871 1.00 61.33 H new ATOM 0 HG22 ILE A 140 4.572 -3.747 -4.055 1.00 61.33 H new ATOM 0 HG23 ILE A 140 3.442 -2.899 -2.973 1.00 61.33 H new ATOM 0 HD11 ILE A 140 5.361 -2.447 0.746 1.00 62.22 H new ATOM 0 HD12 ILE A 140 6.506 -3.109 -0.444 1.00 62.22 H new ATOM 0 HD13 ILE A 140 5.274 -1.932 -0.955 1.00 62.22 H new ATOM 2049 N MET A 141 3.709 -7.917 -2.476 1.00 35.24 N ATOM 2050 CA MET A 141 3.862 -9.275 -2.045 1.00 45.35 C ATOM 2051 C MET A 141 5.260 -9.751 -2.253 1.00 53.13 C ATOM 2052 O MET A 141 5.833 -9.548 -3.334 1.00 62.41 O ATOM 2053 CB MET A 141 2.886 -10.200 -2.784 1.00 12.43 C ATOM 2054 CG MET A 141 1.414 -9.913 -2.523 1.00 74.32 C ATOM 2055 SD MET A 141 0.307 -11.045 -3.406 1.00 74.15 S ATOM 2056 CE MET A 141 0.752 -10.726 -5.113 1.00 12.32 C ATOM 0 H MET A 141 3.430 -7.818 -3.452 1.00 35.24 H new ATOM 0 HA MET A 141 3.637 -9.305 -0.979 1.00 45.35 H new ATOM 0 HB2 MET A 141 3.073 -10.121 -3.855 1.00 12.43 H new ATOM 0 HB3 MET A 141 3.097 -11.231 -2.499 1.00 12.43 H new ATOM 0 HG2 MET A 141 1.219 -9.984 -1.453 1.00 74.32 H new ATOM 0 HG3 MET A 141 1.190 -8.889 -2.821 1.00 74.32 H new ATOM 0 HE1 MET A 141 -0.045 -11.076 -5.768 1.00 12.32 H new ATOM 0 HE2 MET A 141 0.897 -9.655 -5.257 1.00 12.32 H new ATOM 0 HE3 MET A 141 1.676 -11.252 -5.353 1.00 12.32 H new ATOM 2066 N SER A 142 5.820 -10.332 -1.208 1.00 5.34 N ATOM 2067 CA SER A 142 7.153 -10.948 -1.235 1.00 12.14 C ATOM 2068 C SER A 142 8.234 -9.870 -1.322 1.00 13.12 C ATOM 2069 O SER A 142 9.377 -10.124 -1.738 1.00 71.33 O ATOM 2070 CB SER A 142 7.255 -11.988 -2.395 1.00 22.12 C ATOM 2071 OG SER A 142 8.544 -12.590 -2.476 1.00 11.45 O ATOM 0 H SER A 142 5.363 -10.395 -0.299 1.00 5.34 H new ATOM 0 HA SER A 142 7.314 -11.493 -0.305 1.00 12.14 H new ATOM 0 HB2 SER A 142 6.504 -12.764 -2.250 1.00 22.12 H new ATOM 0 HB3 SER A 142 7.027 -11.496 -3.341 1.00 22.12 H new ATOM 0 HG SER A 142 9.234 -11.904 -2.359 1.00 11.45 H new ATOM 2077 N LYS A 143 7.881 -8.701 -0.866 1.00 24.01 N ATOM 2078 CA LYS A 143 8.761 -7.579 -0.839 1.00 50.02 C ATOM 2079 C LYS A 143 9.755 -7.775 0.300 1.00 50.40 C ATOM 2080 O LYS A 143 9.422 -8.352 1.340 1.00 54.32 O ATOM 2081 CB LYS A 143 7.917 -6.282 -0.724 1.00 22.51 C ATOM 2082 CG LYS A 143 8.676 -4.965 -0.557 1.00 31.13 C ATOM 2083 CD LYS A 143 9.006 -4.684 0.902 1.00 15.41 C ATOM 2084 CE LYS A 143 9.702 -3.352 1.083 1.00 3.53 C ATOM 2085 NZ LYS A 143 9.978 -3.094 2.504 1.00 44.14 N ATOM 0 H LYS A 143 6.951 -8.503 -0.496 1.00 24.01 H new ATOM 0 HA LYS A 143 9.343 -7.488 -1.756 1.00 50.02 H new ATOM 0 HB2 LYS A 143 7.296 -6.203 -1.617 1.00 22.51 H new ATOM 0 HB3 LYS A 143 7.242 -6.393 0.125 1.00 22.51 H new ATOM 0 HG2 LYS A 143 9.598 -5.000 -1.138 1.00 31.13 H new ATOM 0 HG3 LYS A 143 8.078 -4.147 -0.958 1.00 31.13 H new ATOM 0 HD2 LYS A 143 8.088 -4.695 1.489 1.00 15.41 H new ATOM 0 HD3 LYS A 143 9.642 -5.480 1.289 1.00 15.41 H new ATOM 0 HE2 LYS A 143 10.635 -3.345 0.520 1.00 3.53 H new ATOM 0 HE3 LYS A 143 9.080 -2.554 0.678 1.00 3.53 H new ATOM 0 HZ1 LYS A 143 9.999 -2.068 2.673 1.00 44.14 H new ATOM 0 HZ2 LYS A 143 9.233 -3.526 3.086 1.00 44.14 H new ATOM 0 HZ3 LYS A 143 10.899 -3.505 2.759 1.00 44.14 H new ATOM 2099 N ALA A 144 10.953 -7.343 0.099 1.00 53.40 N ATOM 2100 CA ALA A 144 11.982 -7.553 1.057 1.00 34.45 C ATOM 2101 C ALA A 144 12.656 -6.262 1.421 1.00 73.11 C ATOM 2102 O ALA A 144 12.350 -5.202 0.873 1.00 1.40 O ATOM 2103 CB ALA A 144 12.998 -8.524 0.506 1.00 11.24 C ATOM 0 H ALA A 144 11.246 -6.834 -0.735 1.00 53.40 H new ATOM 0 HA ALA A 144 11.531 -7.966 1.959 1.00 34.45 H new ATOM 0 HB1 ALA A 144 13.786 -8.683 1.242 1.00 11.24 H new ATOM 0 HB2 ALA A 144 12.511 -9.474 0.285 1.00 11.24 H new ATOM 0 HB3 ALA A 144 13.432 -8.117 -0.407 1.00 11.24 H new ATOM 2109 N ALA A 145 13.536 -6.351 2.359 1.00 40.51 N ATOM 2110 CA ALA A 145 14.340 -5.248 2.766 1.00 25.20 C ATOM 2111 C ALA A 145 15.770 -5.567 2.379 1.00 33.24 C ATOM 2112 O ALA A 145 16.233 -6.684 2.669 1.00 11.33 O ATOM 2113 CB ALA A 145 14.230 -5.057 4.271 1.00 1.44 C ATOM 0 H ALA A 145 13.721 -7.211 2.876 1.00 40.51 H new ATOM 0 HA ALA A 145 14.011 -4.327 2.285 1.00 25.20 H new ATOM 0 HB1 ALA A 145 14.847 -4.212 4.577 1.00 1.44 H new ATOM 0 HB2 ALA A 145 13.191 -4.863 4.538 1.00 1.44 H new ATOM 0 HB3 ALA A 145 14.573 -5.959 4.778 1.00 1.44 H new ATOM 2119 N PRO A 146 16.475 -4.635 1.675 1.00 33.23 N ATOM 2120 CA PRO A 146 17.878 -4.832 1.277 1.00 73.12 C ATOM 2121 C PRO A 146 18.703 -5.283 2.476 1.00 34.41 C ATOM 2122 O PRO A 146 18.641 -4.664 3.548 1.00 34.23 O ATOM 2123 CB PRO A 146 18.325 -3.442 0.823 1.00 35.44 C ATOM 2124 CG PRO A 146 17.077 -2.730 0.419 1.00 1.41 C ATOM 2125 CD PRO A 146 15.943 -3.337 1.203 1.00 0.30 C ATOM 0 HA PRO A 146 18.000 -5.591 0.504 1.00 73.12 H new ATOM 0 HB2 PRO A 146 18.835 -2.912 1.627 1.00 35.44 H new ATOM 0 HB3 PRO A 146 19.025 -3.508 -0.010 1.00 35.44 H new ATOM 0 HG2 PRO A 146 17.159 -1.663 0.625 1.00 1.41 H new ATOM 0 HG3 PRO A 146 16.904 -2.835 -0.652 1.00 1.41 H new ATOM 0 HD2 PRO A 146 15.651 -2.700 2.038 1.00 0.30 H new ATOM 0 HD3 PRO A 146 15.058 -3.473 0.581 1.00 0.30 H new ATOM 2133 N TYR A 147 19.444 -6.342 2.319 1.00 10.44 N ATOM 2134 CA TYR A 147 20.114 -6.933 3.414 1.00 12.23 C ATOM 2135 C TYR A 147 21.554 -6.485 3.508 1.00 31.22 C ATOM 2136 O TYR A 147 22.108 -5.869 2.582 1.00 74.23 O ATOM 2137 CB TYR A 147 20.050 -8.453 3.291 1.00 34.01 C ATOM 2138 CG TYR A 147 20.874 -9.040 2.159 1.00 60.33 C ATOM 2139 CD1 TYR A 147 20.389 -9.097 0.859 1.00 5.34 C ATOM 2140 CD2 TYR A 147 22.144 -9.545 2.406 1.00 41.14 C ATOM 2141 CE1 TYR A 147 21.144 -9.635 -0.156 1.00 35.34 C ATOM 2142 CE2 TYR A 147 22.907 -10.083 1.395 1.00 62.54 C ATOM 2143 CZ TYR A 147 22.402 -10.127 0.116 1.00 31.22 C ATOM 2144 OH TYR A 147 23.159 -10.657 -0.898 1.00 23.54 O ATOM 0 H TYR A 147 19.593 -6.811 1.425 1.00 10.44 H new ATOM 0 HA TYR A 147 19.612 -6.610 4.326 1.00 12.23 H new ATOM 0 HB2 TYR A 147 20.385 -8.893 4.230 1.00 34.01 H new ATOM 0 HB3 TYR A 147 19.010 -8.748 3.154 1.00 34.01 H new ATOM 0 HD1 TYR A 147 19.403 -8.713 0.642 1.00 5.34 H new ATOM 0 HD2 TYR A 147 22.540 -9.515 3.410 1.00 41.14 H new ATOM 0 HE1 TYR A 147 20.753 -9.672 -1.162 1.00 35.34 H new ATOM 0 HE2 TYR A 147 23.894 -10.468 1.604 1.00 62.54 H new ATOM 0 HH TYR A 147 24.020 -10.958 -0.540 1.00 23.54 H new ATOM 2154 N VAL A 148 22.144 -6.808 4.604 1.00 21.34 N ATOM 2155 CA VAL A 148 23.508 -6.565 4.862 1.00 22.41 C ATOM 2156 C VAL A 148 24.129 -7.834 5.458 1.00 25.14 C ATOM 2157 O VAL A 148 23.777 -8.284 6.559 1.00 3.11 O ATOM 2158 CB VAL A 148 23.700 -5.306 5.761 1.00 52.51 C ATOM 2159 CG1 VAL A 148 22.876 -5.381 7.040 1.00 71.30 C ATOM 2160 CG2 VAL A 148 25.160 -5.070 6.069 1.00 43.25 C ATOM 0 H VAL A 148 21.662 -7.269 5.376 1.00 21.34 H new ATOM 0 HA VAL A 148 24.030 -6.337 3.933 1.00 22.41 H new ATOM 0 HB VAL A 148 23.332 -4.452 5.192 1.00 52.51 H new ATOM 0 HG11 VAL A 148 23.043 -4.482 7.633 1.00 71.30 H new ATOM 0 HG12 VAL A 148 21.818 -5.458 6.787 1.00 71.30 H new ATOM 0 HG13 VAL A 148 23.176 -6.257 7.616 1.00 71.30 H new ATOM 0 HG21 VAL A 148 25.261 -4.185 6.697 1.00 43.25 H new ATOM 0 HG22 VAL A 148 25.566 -5.935 6.593 1.00 43.25 H new ATOM 0 HG23 VAL A 148 25.708 -4.919 5.139 1.00 43.25 H new ATOM 2170 N ALA A 149 24.953 -8.453 4.683 1.00 3.14 N ATOM 2171 CA ALA A 149 25.606 -9.671 5.069 1.00 44.12 C ATOM 2172 C ALA A 149 27.089 -9.460 5.015 1.00 11.10 C ATOM 2173 O ALA A 149 27.704 -9.269 6.066 1.00 34.55 O ATOM 2174 CB ALA A 149 25.193 -10.819 4.156 1.00 41.03 C ATOM 0 H ALA A 149 25.200 -8.128 3.748 1.00 3.14 H new ATOM 0 HA ALA A 149 25.310 -9.936 6.084 1.00 44.12 H new ATOM 0 HB1 ALA A 149 25.700 -11.732 4.467 1.00 41.03 H new ATOM 0 HB2 ALA A 149 24.114 -10.964 4.219 1.00 41.03 H new ATOM 0 HB3 ALA A 149 25.468 -10.583 3.128 1.00 41.03 H new TER 2180 ALA A 149