USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1125 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 129 MET CE :methyl 161:sc= -0.325 (180deg=-1.19) USER MOD Set 1.2: A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 67 GLN : amide:sc= 0.687 X(o=1.5,f=0.98) USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.777 USER MOD Set 3.1: A 71 LYS NZ :NH3+ 172:sc= 1.14 (180deg=0) USER MOD Set 3.2: A 105 GLN : amide:sc= -0.467 K(o=0.68,f=-6!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.157 (180deg=-0.73) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.785 USER MOD Single : A 7 TYR OH : rot 34:sc= 1.29 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -95:sc= 0.368 USER MOD Single : A 14 SER OG : rot 180:sc= 0.283 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1.1) USER MOD Single : A 19 GLN : amide:sc= -0.611 K(o=-0.61,f=-4.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 140:sc= -0.595 USER MOD Single : A 28 LYS NZ :NH3+ -115:sc= 0.171 (180deg=-0.342) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.13) USER MOD Single : A 33 HIS : no HD1:sc= -0.334! C(o=-0.33!,f=-3.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.2!) USER MOD Single : A 47 THR OG1 : rot 81:sc= 1.3 USER MOD Single : A 48 MET CE :methyl -142:sc= -0.153 (180deg=-1.26) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0145) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.0122 (180deg=-0.114) USER MOD Single : A 66 SER OG : rot -117:sc= 0.151 USER MOD Single : A 76 HIS : no HD1:sc= -1.51! C(o=0.088!,f=-9.7!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -133:sc= 1.22 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 97 GLN : amide:sc= -0.0496 K(o=-0.05,f=-6.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl 155:sc= -0.228 (180deg=-0.748) USER MOD Single : A 104 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 30:sc= -0.0896 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0.774 K(o=0.77,f=-7.4!) USER MOD Single : A 124 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.9!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -177:sc= 2.35 (180deg=2.25) USER MOD Single : A 133 SER OG : rot 74:sc= 1.23 USER MOD Single : A 142 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.008) USER MOD Single : A 143 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.061) USER MOD Single : A 144 HIS : no HD1:sc=-0.00905 X(o=-0.0091,f=0) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 HIS : no HD1:sc=-0.000511 X(o=-0.00051,f=0) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.452 18.788 -3.966 1.00 13.51 N ATOM 2 CA MET A 1 -16.002 17.984 -2.808 1.00 51.32 C ATOM 3 C MET A 1 -16.208 16.494 -3.088 1.00 33.43 C ATOM 4 O MET A 1 -16.845 15.782 -2.307 1.00 41.13 O ATOM 5 CB MET A 1 -16.783 18.395 -1.554 1.00 34.20 C ATOM 6 CG MET A 1 -16.187 17.863 -0.260 1.00 2.24 C ATOM 7 SD MET A 1 -17.276 18.100 1.159 1.00 12.54 S ATOM 8 CE MET A 1 -18.620 16.992 0.740 1.00 63.12 C ATOM 0 H1 MET A 1 -16.307 19.798 -3.765 1.00 13.51 H new ATOM 0 H2 MET A 1 -15.903 18.521 -4.808 1.00 13.51 H new ATOM 0 H3 MET A 1 -17.462 18.611 -4.140 1.00 13.51 H new ATOM 0 HA MET A 1 -14.940 18.166 -2.643 1.00 51.32 H new ATOM 0 HB2 MET A 1 -16.825 19.483 -1.504 1.00 34.20 H new ATOM 0 HB3 MET A 1 -17.810 18.040 -1.644 1.00 34.20 H new ATOM 0 HG2 MET A 1 -15.972 16.801 -0.374 1.00 2.24 H new ATOM 0 HG3 MET A 1 -15.237 18.362 -0.071 1.00 2.24 H new ATOM 0 HE1 MET A 1 -19.141 16.692 1.649 1.00 63.12 H new ATOM 0 HE2 MET A 1 -19.316 17.501 0.073 1.00 63.12 H new ATOM 0 HE3 MET A 1 -18.221 16.108 0.242 1.00 63.12 H new ATOM 20 N ASP A 2 -15.676 16.023 -4.208 1.00 73.31 N ATOM 21 CA ASP A 2 -15.832 14.626 -4.594 1.00 72.02 C ATOM 22 C ASP A 2 -14.537 14.075 -5.165 1.00 11.40 C ATOM 23 O ASP A 2 -14.213 14.298 -6.333 1.00 53.34 O ATOM 24 CB ASP A 2 -16.959 14.456 -5.617 1.00 35.33 C ATOM 25 CG ASP A 2 -18.335 14.658 -5.017 1.00 33.22 C ATOM 26 OD1 ASP A 2 -18.807 15.814 -4.971 1.00 25.14 O ATOM 27 OD2 ASP A 2 -18.953 13.663 -4.585 1.00 64.45 O ATOM 0 H ASP A 2 -15.134 16.586 -4.864 1.00 73.31 H new ATOM 0 HA ASP A 2 -16.090 14.067 -3.695 1.00 72.02 H new ATOM 0 HB2 ASP A 2 -16.815 15.167 -6.430 1.00 35.33 H new ATOM 0 HB3 ASP A 2 -16.901 13.458 -6.052 1.00 35.33 H new ATOM 32 N ASP A 3 -13.798 13.367 -4.330 1.00 74.14 N ATOM 33 CA ASP A 3 -12.549 12.749 -4.731 1.00 30.42 C ATOM 34 C ASP A 3 -12.812 11.330 -5.212 1.00 0.20 C ATOM 35 O ASP A 3 -12.826 10.377 -4.435 1.00 43.41 O ATOM 36 CB ASP A 3 -11.528 12.771 -3.580 1.00 13.21 C ATOM 37 CG ASP A 3 -12.060 12.189 -2.279 1.00 4.34 C ATOM 38 OD1 ASP A 3 -13.034 12.744 -1.720 1.00 1.41 O ATOM 39 OD2 ASP A 3 -11.502 11.180 -1.798 1.00 54.15 O ATOM 0 H ASP A 3 -14.048 13.205 -3.354 1.00 74.14 H new ATOM 0 HA ASP A 3 -12.119 13.321 -5.553 1.00 30.42 H new ATOM 0 HB2 ASP A 3 -10.642 12.213 -3.882 1.00 13.21 H new ATOM 0 HB3 ASP A 3 -11.213 13.800 -3.405 1.00 13.21 H new ATOM 44 N ARG A 4 -13.070 11.209 -6.501 1.00 53.43 N ATOM 45 CA ARG A 4 -13.423 9.926 -7.095 1.00 63.55 C ATOM 46 C ARG A 4 -12.343 9.453 -8.063 1.00 60.32 C ATOM 47 O ARG A 4 -12.489 8.421 -8.715 1.00 2.32 O ATOM 48 CB ARG A 4 -14.762 10.038 -7.828 1.00 54.05 C ATOM 49 CG ARG A 4 -15.890 10.571 -6.961 1.00 42.01 C ATOM 50 CD ARG A 4 -17.185 10.699 -7.745 1.00 74.23 C ATOM 51 NE ARG A 4 -18.214 11.407 -6.984 1.00 23.20 N ATOM 52 CZ ARG A 4 -19.369 11.827 -7.498 1.00 64.03 C ATOM 53 NH1 ARG A 4 -19.706 11.508 -8.744 1.00 41.54 N ATOM 54 NH2 ARG A 4 -20.196 12.547 -6.750 1.00 53.02 N ATOM 0 H ARG A 4 -13.042 11.985 -7.162 1.00 53.43 H new ATOM 0 HA ARG A 4 -13.509 9.194 -6.292 1.00 63.55 H new ATOM 0 HB2 ARG A 4 -14.640 10.691 -8.692 1.00 54.05 H new ATOM 0 HB3 ARG A 4 -15.041 9.055 -8.208 1.00 54.05 H new ATOM 0 HG2 ARG A 4 -16.043 9.905 -6.112 1.00 42.01 H new ATOM 0 HG3 ARG A 4 -15.611 11.544 -6.557 1.00 42.01 H new ATOM 0 HD2 ARG A 4 -16.994 11.229 -8.678 1.00 74.23 H new ATOM 0 HD3 ARG A 4 -17.548 9.706 -8.011 1.00 74.23 H new ATOM 0 HE ARG A 4 -18.036 11.591 -5.997 1.00 23.20 H new ATOM 0 HH11 ARG A 4 -19.079 10.939 -9.312 1.00 41.54 H new ATOM 0 HH12 ARG A 4 -20.592 11.833 -9.132 1.00 41.54 H new ATOM 0 HH21 ARG A 4 -19.946 12.775 -5.788 1.00 53.02 H new ATOM 0 HH22 ARG A 4 -21.082 12.872 -7.137 1.00 53.02 H new ATOM 68 N THR A 5 -11.267 10.219 -8.157 1.00 62.32 N ATOM 69 CA THR A 5 -10.178 9.889 -9.063 1.00 72.21 C ATOM 70 C THR A 5 -9.178 8.947 -8.395 1.00 45.04 C ATOM 71 O THR A 5 -9.183 8.784 -7.172 1.00 70.14 O ATOM 72 CB THR A 5 -9.450 11.163 -9.552 1.00 3.43 C ATOM 73 OG1 THR A 5 -8.496 10.842 -10.577 1.00 54.33 O ATOM 74 CG2 THR A 5 -8.741 11.869 -8.402 1.00 62.11 C ATOM 0 H THR A 5 -11.125 11.073 -7.617 1.00 62.32 H new ATOM 0 HA THR A 5 -10.615 9.386 -9.926 1.00 72.21 H new ATOM 0 HB THR A 5 -10.206 11.833 -9.962 1.00 3.43 H new ATOM 0 HG1 THR A 5 -8.761 10.010 -11.022 1.00 54.33 H new ATOM 0 HG21 THR A 5 -8.238 12.761 -8.777 1.00 62.11 H new ATOM 0 HG22 THR A 5 -9.471 12.155 -7.645 1.00 62.11 H new ATOM 0 HG23 THR A 5 -8.005 11.197 -7.960 1.00 62.11 H new ATOM 82 N GLU A 6 -8.337 8.326 -9.212 1.00 54.14 N ATOM 83 CA GLU A 6 -7.304 7.421 -8.735 1.00 45.31 C ATOM 84 C GLU A 6 -6.362 8.152 -7.785 1.00 44.15 C ATOM 85 O GLU A 6 -5.727 9.140 -8.164 1.00 41.32 O ATOM 86 CB GLU A 6 -6.500 6.846 -9.911 1.00 1.24 C ATOM 87 CG GLU A 6 -7.340 6.469 -11.124 1.00 52.43 C ATOM 88 CD GLU A 6 -7.583 7.641 -12.058 1.00 33.45 C ATOM 89 OE1 GLU A 6 -8.566 8.386 -11.849 1.00 0.20 O ATOM 90 OE2 GLU A 6 -6.787 7.828 -13.001 1.00 60.10 O ATOM 0 H GLU A 6 -8.354 8.437 -10.226 1.00 54.14 H new ATOM 0 HA GLU A 6 -7.789 6.601 -8.205 1.00 45.31 H new ATOM 0 HB2 GLU A 6 -5.752 7.578 -10.216 1.00 1.24 H new ATOM 0 HB3 GLU A 6 -5.961 5.963 -9.569 1.00 1.24 H new ATOM 0 HG2 GLU A 6 -6.840 5.671 -11.673 1.00 52.43 H new ATOM 0 HG3 GLU A 6 -8.298 6.073 -10.788 1.00 52.43 H new ATOM 97 N TYR A 7 -6.272 7.663 -6.559 1.00 31.22 N ATOM 98 CA TYR A 7 -5.425 8.279 -5.547 1.00 55.01 C ATOM 99 C TYR A 7 -3.959 8.021 -5.853 1.00 1.41 C ATOM 100 O TYR A 7 -3.594 6.939 -6.317 1.00 1.01 O ATOM 101 CB TYR A 7 -5.747 7.720 -4.159 1.00 33.33 C ATOM 102 CG TYR A 7 -7.163 7.973 -3.688 1.00 31.25 C ATOM 103 CD1 TYR A 7 -7.484 9.135 -3.002 1.00 24.25 C ATOM 104 CD2 TYR A 7 -8.173 7.042 -3.912 1.00 54.52 C ATOM 105 CE1 TYR A 7 -8.769 9.365 -2.551 1.00 4.54 C ATOM 106 CE2 TYR A 7 -9.461 7.268 -3.469 1.00 53.24 C ATOM 107 CZ TYR A 7 -9.752 8.429 -2.788 1.00 35.11 C ATOM 108 OH TYR A 7 -11.030 8.651 -2.332 1.00 14.22 O ATOM 0 H TYR A 7 -6.777 6.837 -6.238 1.00 31.22 H new ATOM 0 HA TYR A 7 -5.618 9.352 -5.559 1.00 55.01 H new ATOM 0 HB2 TYR A 7 -5.567 6.645 -4.165 1.00 33.33 H new ATOM 0 HB3 TYR A 7 -5.055 8.155 -3.438 1.00 33.33 H new ATOM 0 HD1 TYR A 7 -6.716 9.872 -2.817 1.00 24.25 H new ATOM 0 HD2 TYR A 7 -7.946 6.128 -4.441 1.00 54.52 H new ATOM 0 HE1 TYR A 7 -9.002 10.273 -2.016 1.00 4.54 H new ATOM 0 HE2 TYR A 7 -10.236 6.539 -3.655 1.00 53.24 H new ATOM 0 HH TYR A 7 -11.231 9.609 -2.376 1.00 14.22 H new ATOM 118 N ASP A 8 -3.122 9.011 -5.597 1.00 13.14 N ATOM 119 CA ASP A 8 -1.688 8.839 -5.737 1.00 42.21 C ATOM 120 C ASP A 8 -1.107 8.426 -4.396 1.00 34.30 C ATOM 121 O ASP A 8 -0.835 9.257 -3.540 1.00 74.33 O ATOM 122 CB ASP A 8 -1.025 10.121 -6.247 1.00 55.12 C ATOM 123 CG ASP A 8 0.463 9.952 -6.491 1.00 55.43 C ATOM 124 OD1 ASP A 8 0.843 9.079 -7.302 1.00 14.22 O ATOM 125 OD2 ASP A 8 1.259 10.707 -5.900 1.00 31.15 O ATOM 0 H ASP A 8 -3.410 9.940 -5.292 1.00 13.14 H new ATOM 0 HA ASP A 8 -1.491 8.060 -6.473 1.00 42.21 H new ATOM 0 HB2 ASP A 8 -1.508 10.432 -7.173 1.00 55.12 H new ATOM 0 HB3 ASP A 8 -1.182 10.920 -5.522 1.00 55.12 H new ATOM 130 N VAL A 9 -0.954 7.131 -4.217 1.00 33.54 N ATOM 131 CA VAL A 9 -0.526 6.573 -2.942 1.00 13.33 C ATOM 132 C VAL A 9 0.981 6.371 -2.931 1.00 33.43 C ATOM 133 O VAL A 9 1.538 5.747 -3.828 1.00 62.15 O ATOM 134 CB VAL A 9 -1.226 5.221 -2.661 1.00 4.34 C ATOM 135 CG1 VAL A 9 -0.823 4.666 -1.300 1.00 41.44 C ATOM 136 CG2 VAL A 9 -2.736 5.374 -2.745 1.00 63.01 C ATOM 0 H VAL A 9 -1.121 6.435 -4.944 1.00 33.54 H new ATOM 0 HA VAL A 9 -0.804 7.281 -2.161 1.00 13.33 H new ATOM 0 HB VAL A 9 -0.904 4.512 -3.424 1.00 4.34 H new ATOM 0 HG11 VAL A 9 -1.330 3.716 -1.130 1.00 41.44 H new ATOM 0 HG12 VAL A 9 0.256 4.511 -1.275 1.00 41.44 H new ATOM 0 HG13 VAL A 9 -1.106 5.373 -0.520 1.00 41.44 H new ATOM 0 HG21 VAL A 9 -3.211 4.413 -2.545 1.00 63.01 H new ATOM 0 HG22 VAL A 9 -3.069 6.104 -2.008 1.00 63.01 H new ATOM 0 HG23 VAL A 9 -3.012 5.714 -3.743 1.00 63.01 H new ATOM 146 N TYR A 10 1.638 6.911 -1.918 1.00 24.05 N ATOM 147 CA TYR A 10 3.085 6.814 -1.819 1.00 42.25 C ATOM 148 C TYR A 10 3.501 5.545 -1.082 1.00 73.33 C ATOM 149 O TYR A 10 2.649 4.794 -0.608 1.00 31.21 O ATOM 150 CB TYR A 10 3.656 8.044 -1.111 1.00 53.20 C ATOM 151 CG TYR A 10 3.526 9.331 -1.899 1.00 43.42 C ATOM 152 CD1 TYR A 10 4.237 9.522 -3.080 1.00 10.20 C ATOM 153 CD2 TYR A 10 2.709 10.363 -1.455 1.00 63.45 C ATOM 154 CE1 TYR A 10 4.137 10.702 -3.791 1.00 42.34 C ATOM 155 CE2 TYR A 10 2.600 11.545 -2.165 1.00 73.35 C ATOM 156 CZ TYR A 10 3.317 11.709 -3.331 1.00 13.54 C ATOM 157 OH TYR A 10 3.221 12.892 -4.033 1.00 63.42 O ATOM 0 H TYR A 10 1.194 7.420 -1.154 1.00 24.05 H new ATOM 0 HA TYR A 10 3.488 6.769 -2.831 1.00 42.25 H new ATOM 0 HB2 TYR A 10 3.150 8.165 -0.153 1.00 53.20 H new ATOM 0 HB3 TYR A 10 4.710 7.868 -0.895 1.00 53.20 H new ATOM 0 HD1 TYR A 10 4.878 8.734 -3.447 1.00 10.20 H new ATOM 0 HD2 TYR A 10 2.149 10.240 -0.540 1.00 63.45 H new ATOM 0 HE1 TYR A 10 4.699 10.835 -4.704 1.00 42.34 H new ATOM 0 HE2 TYR A 10 1.957 12.335 -1.808 1.00 73.35 H new ATOM 0 HH TYR A 10 2.600 13.495 -3.574 1.00 63.42 H new ATOM 167 N THR A 11 4.821 5.329 -1.020 1.00 71.20 N ATOM 168 CA THR A 11 5.468 4.187 -0.344 1.00 33.13 C ATOM 169 C THR A 11 5.018 2.816 -0.883 1.00 71.54 C ATOM 170 O THR A 11 5.467 1.779 -0.403 1.00 55.04 O ATOM 171 CB THR A 11 5.322 4.234 1.203 1.00 55.24 C ATOM 172 OG1 THR A 11 6.344 3.432 1.805 1.00 42.10 O ATOM 173 CG2 THR A 11 3.971 3.720 1.677 1.00 63.23 C ATOM 0 H THR A 11 5.494 5.962 -1.452 1.00 71.20 H new ATOM 0 HA THR A 11 6.525 4.298 -0.584 1.00 33.13 H new ATOM 0 HB THR A 11 5.413 5.279 1.499 1.00 55.24 H new ATOM 0 HG1 THR A 11 5.992 2.536 1.988 1.00 42.10 H new ATOM 0 HG21 THR A 11 3.922 3.775 2.765 1.00 63.23 H new ATOM 0 HG22 THR A 11 3.178 4.331 1.247 1.00 63.23 H new ATOM 0 HG23 THR A 11 3.844 2.685 1.360 1.00 63.23 H new ATOM 181 N ASP A 12 4.199 2.810 -1.920 1.00 54.22 N ATOM 182 CA ASP A 12 3.682 1.569 -2.487 1.00 21.31 C ATOM 183 C ASP A 12 4.754 0.836 -3.299 1.00 23.25 C ATOM 184 O ASP A 12 4.821 0.940 -4.523 1.00 44.43 O ATOM 185 CB ASP A 12 2.439 1.855 -3.342 1.00 5.21 C ATOM 186 CG ASP A 12 2.694 2.815 -4.495 1.00 13.44 C ATOM 187 OD1 ASP A 12 3.595 3.679 -4.389 1.00 74.34 O ATOM 188 OD2 ASP A 12 1.982 2.717 -5.513 1.00 62.24 O ATOM 0 H ASP A 12 3.874 3.654 -2.391 1.00 54.22 H new ATOM 0 HA ASP A 12 3.394 0.913 -1.666 1.00 21.31 H new ATOM 0 HB2 ASP A 12 2.060 0.914 -3.742 1.00 5.21 H new ATOM 0 HB3 ASP A 12 1.658 2.268 -2.704 1.00 5.21 H new ATOM 193 N GLY A 13 5.620 0.117 -2.600 1.00 14.42 N ATOM 194 CA GLY A 13 6.681 -0.607 -3.263 1.00 21.21 C ATOM 195 C GLY A 13 6.861 -2.008 -2.719 1.00 63.21 C ATOM 196 O GLY A 13 6.082 -2.907 -3.033 1.00 10.44 O ATOM 0 H GLY A 13 5.605 0.023 -1.584 1.00 14.42 H new ATOM 0 HA2 GLY A 13 6.467 -0.661 -4.330 1.00 21.21 H new ATOM 0 HA3 GLY A 13 7.615 -0.056 -3.153 1.00 21.21 H new ATOM 200 N SER A 14 7.880 -2.191 -1.891 1.00 71.53 N ATOM 201 CA SER A 14 8.199 -3.501 -1.341 1.00 75.11 C ATOM 202 C SER A 14 9.157 -3.369 -0.160 1.00 24.43 C ATOM 203 O SER A 14 8.750 -3.472 0.998 1.00 53.12 O ATOM 204 CB SER A 14 8.796 -4.399 -2.432 1.00 1.14 C ATOM 205 OG SER A 14 9.805 -3.716 -3.164 1.00 43.24 O ATOM 0 H SER A 14 8.503 -1.444 -1.584 1.00 71.53 H new ATOM 0 HA SER A 14 7.281 -3.962 -0.978 1.00 75.11 H new ATOM 0 HB2 SER A 14 9.217 -5.296 -1.978 1.00 1.14 H new ATOM 0 HB3 SER A 14 8.008 -4.724 -3.111 1.00 1.14 H new ATOM 0 HG SER A 14 10.170 -4.311 -3.852 1.00 43.24 H new ATOM 211 N TYR A 15 10.425 -3.129 -0.463 1.00 25.45 N ATOM 212 CA TYR A 15 11.442 -2.927 0.559 1.00 53.11 C ATOM 213 C TYR A 15 12.470 -1.913 0.074 1.00 65.41 C ATOM 214 O TYR A 15 12.498 -1.571 -1.112 1.00 11.14 O ATOM 215 CB TYR A 15 12.130 -4.254 0.917 1.00 22.51 C ATOM 216 CG TYR A 15 12.909 -4.893 -0.215 1.00 34.41 C ATOM 217 CD1 TYR A 15 12.291 -5.756 -1.111 1.00 41.32 C ATOM 218 CD2 TYR A 15 14.266 -4.642 -0.376 1.00 13.34 C ATOM 219 CE1 TYR A 15 13.003 -6.348 -2.137 1.00 41.12 C ATOM 220 CE2 TYR A 15 14.984 -5.231 -1.398 1.00 71.35 C ATOM 221 CZ TYR A 15 14.348 -6.081 -2.276 1.00 54.22 C ATOM 222 OH TYR A 15 15.067 -6.677 -3.287 1.00 31.14 O ATOM 0 H TYR A 15 10.776 -3.069 -1.419 1.00 25.45 H new ATOM 0 HA TYR A 15 10.958 -2.543 1.457 1.00 53.11 H new ATOM 0 HB2 TYR A 15 12.808 -4.081 1.753 1.00 22.51 H new ATOM 0 HB3 TYR A 15 11.372 -4.958 1.261 1.00 22.51 H new ATOM 0 HD1 TYR A 15 11.237 -5.968 -1.004 1.00 41.32 H new ATOM 0 HD2 TYR A 15 14.768 -3.975 0.310 1.00 13.34 H new ATOM 0 HE1 TYR A 15 12.508 -7.016 -2.826 1.00 41.12 H new ATOM 0 HE2 TYR A 15 16.039 -5.026 -1.508 1.00 71.35 H new ATOM 0 HH TYR A 15 16.000 -6.380 -3.244 1.00 31.14 H new ATOM 232 N VAL A 16 13.315 -1.438 0.975 1.00 34.43 N ATOM 233 CA VAL A 16 14.358 -0.494 0.611 1.00 10.01 C ATOM 234 C VAL A 16 15.603 -0.713 1.472 1.00 61.40 C ATOM 235 O VAL A 16 15.500 -0.961 2.672 1.00 12.12 O ATOM 236 CB VAL A 16 13.868 0.972 0.721 1.00 61.20 C ATOM 237 CG1 VAL A 16 13.569 1.355 2.163 1.00 54.32 C ATOM 238 CG2 VAL A 16 14.881 1.919 0.100 1.00 52.41 C ATOM 0 H VAL A 16 13.299 -1.691 1.963 1.00 34.43 H new ATOM 0 HA VAL A 16 14.617 -0.675 -0.432 1.00 10.01 H new ATOM 0 HB VAL A 16 12.934 1.056 0.165 1.00 61.20 H new ATOM 0 HG11 VAL A 16 13.228 2.390 2.201 1.00 54.32 H new ATOM 0 HG12 VAL A 16 12.792 0.702 2.559 1.00 54.32 H new ATOM 0 HG13 VAL A 16 14.473 1.248 2.763 1.00 54.32 H new ATOM 0 HG21 VAL A 16 14.521 2.944 0.186 1.00 52.41 H new ATOM 0 HG22 VAL A 16 15.834 1.824 0.620 1.00 52.41 H new ATOM 0 HG23 VAL A 16 15.016 1.669 -0.952 1.00 52.41 H new ATOM 248 N ASN A 17 16.773 -0.663 0.833 1.00 1.24 N ATOM 249 CA ASN A 17 18.059 -0.906 1.503 1.00 23.44 C ATOM 250 C ASN A 17 18.107 -2.315 2.090 1.00 34.44 C ATOM 251 O ASN A 17 18.844 -2.577 3.043 1.00 72.13 O ATOM 252 CB ASN A 17 18.312 0.121 2.619 1.00 62.31 C ATOM 253 CG ASN A 17 18.482 1.537 2.107 1.00 52.12 C ATOM 254 OD1 ASN A 17 19.581 1.951 1.745 1.00 24.20 O ATOM 255 ND2 ASN A 17 17.400 2.302 2.100 1.00 74.23 N ATOM 0 H ASN A 17 16.860 -0.454 -0.162 1.00 1.24 H new ATOM 0 HA ASN A 17 18.840 -0.803 0.750 1.00 23.44 H new ATOM 0 HB2 ASN A 17 17.480 0.094 3.322 1.00 62.31 H new ATOM 0 HB3 ASN A 17 19.206 -0.167 3.172 1.00 62.31 H new ATOM 0 HD21 ASN A 17 17.462 3.271 1.787 1.00 74.23 H new ATOM 0 HD22 ASN A 17 16.505 1.922 2.408 1.00 74.23 H new ATOM 262 N GLY A 18 17.344 -3.225 1.490 1.00 3.43 N ATOM 263 CA GLY A 18 17.270 -4.590 1.982 1.00 20.52 C ATOM 264 C GLY A 18 16.347 -4.725 3.184 1.00 63.30 C ATOM 265 O GLY A 18 16.107 -5.830 3.673 1.00 0.10 O ATOM 0 H GLY A 18 16.772 -3.039 0.666 1.00 3.43 H new ATOM 0 HA2 GLY A 18 16.919 -5.243 1.183 1.00 20.52 H new ATOM 0 HA3 GLY A 18 18.269 -4.929 2.255 1.00 20.52 H new ATOM 269 N GLN A 19 15.821 -3.599 3.651 1.00 72.12 N ATOM 270 CA GLN A 19 14.951 -3.575 4.820 1.00 22.41 C ATOM 271 C GLN A 19 13.496 -3.456 4.389 1.00 42.05 C ATOM 272 O GLN A 19 13.175 -2.681 3.488 1.00 11.33 O ATOM 273 CB GLN A 19 15.320 -2.394 5.724 1.00 54.05 C ATOM 274 CG GLN A 19 16.783 -2.369 6.140 1.00 54.32 C ATOM 275 CD GLN A 19 17.136 -3.446 7.146 1.00 71.35 C ATOM 276 OE1 GLN A 19 16.535 -4.521 7.173 1.00 63.11 O ATOM 277 NE2 GLN A 19 18.123 -3.165 7.981 1.00 1.42 N ATOM 0 H GLN A 19 15.984 -2.683 3.233 1.00 72.12 H new ATOM 0 HA GLN A 19 15.083 -4.505 5.373 1.00 22.41 H new ATOM 0 HB2 GLN A 19 15.084 -1.465 5.205 1.00 54.05 H new ATOM 0 HB3 GLN A 19 14.699 -2.426 6.619 1.00 54.05 H new ATOM 0 HG2 GLN A 19 17.408 -2.489 5.255 1.00 54.32 H new ATOM 0 HG3 GLN A 19 17.016 -1.393 6.565 1.00 54.32 H new ATOM 0 HE21 GLN A 19 18.596 -2.263 7.926 1.00 1.42 H new ATOM 0 HE22 GLN A 19 18.411 -3.850 8.679 1.00 1.42 H new ATOM 286 N TYR A 20 12.621 -4.220 5.023 1.00 43.11 N ATOM 287 CA TYR A 20 11.202 -4.154 4.706 1.00 11.41 C ATOM 288 C TYR A 20 10.396 -3.750 5.934 1.00 64.01 C ATOM 289 O TYR A 20 10.750 -4.090 7.066 1.00 74.22 O ATOM 290 CB TYR A 20 10.698 -5.490 4.139 1.00 14.10 C ATOM 291 CG TYR A 20 10.674 -6.641 5.128 1.00 54.33 C ATOM 292 CD1 TYR A 20 11.792 -7.443 5.328 1.00 2.01 C ATOM 293 CD2 TYR A 20 9.520 -6.934 5.846 1.00 52.34 C ATOM 294 CE1 TYR A 20 11.759 -8.501 6.218 1.00 50.24 C ATOM 295 CE2 TYR A 20 9.479 -7.989 6.735 1.00 3.31 C ATOM 296 CZ TYR A 20 10.600 -8.769 6.919 1.00 51.23 C ATOM 297 OH TYR A 20 10.558 -9.825 7.802 1.00 13.11 O ATOM 0 H TYR A 20 12.865 -4.888 5.754 1.00 43.11 H new ATOM 0 HA TYR A 20 11.064 -3.392 3.938 1.00 11.41 H new ATOM 0 HB2 TYR A 20 9.690 -5.345 3.750 1.00 14.10 H new ATOM 0 HB3 TYR A 20 11.328 -5.770 3.295 1.00 14.10 H new ATOM 0 HD1 TYR A 20 12.700 -7.237 4.780 1.00 2.01 H new ATOM 0 HD2 TYR A 20 8.639 -6.325 5.705 1.00 52.34 H new ATOM 0 HE1 TYR A 20 12.636 -9.115 6.364 1.00 50.24 H new ATOM 0 HE2 TYR A 20 8.573 -8.202 7.283 1.00 3.31 H new ATOM 0 HH TYR A 20 9.669 -9.873 8.212 1.00 13.11 H new ATOM 307 N ALA A 21 9.320 -3.017 5.698 1.00 12.31 N ATOM 308 CA ALA A 21 8.459 -2.529 6.761 1.00 64.21 C ATOM 309 C ALA A 21 7.059 -2.285 6.211 1.00 20.11 C ATOM 310 O ALA A 21 6.866 -2.279 4.992 1.00 22.44 O ATOM 311 CB ALA A 21 9.034 -1.249 7.355 1.00 21.55 C ATOM 0 H ALA A 21 9.019 -2.744 4.762 1.00 12.31 H new ATOM 0 HA ALA A 21 8.401 -3.276 7.552 1.00 64.21 H new ATOM 0 HB1 ALA A 21 8.381 -0.892 8.151 1.00 21.55 H new ATOM 0 HB2 ALA A 21 10.025 -1.450 7.762 1.00 21.55 H new ATOM 0 HB3 ALA A 21 9.108 -0.488 6.578 1.00 21.55 H new ATOM 317 N TRP A 22 6.089 -2.090 7.091 1.00 42.43 N ATOM 318 CA TRP A 22 4.731 -1.817 6.655 1.00 32.30 C ATOM 319 C TRP A 22 4.415 -0.344 6.865 1.00 55.31 C ATOM 320 O TRP A 22 4.661 0.212 7.938 1.00 54.04 O ATOM 321 CB TRP A 22 3.716 -2.716 7.387 1.00 73.43 C ATOM 322 CG TRP A 22 3.637 -2.500 8.875 1.00 23.33 C ATOM 323 CD1 TRP A 22 4.514 -2.946 9.823 1.00 2.42 C ATOM 324 CD2 TRP A 22 2.609 -1.794 9.583 1.00 13.45 C ATOM 325 NE1 TRP A 22 4.104 -2.546 11.073 1.00 42.22 N ATOM 326 CE2 TRP A 22 2.935 -1.841 10.952 1.00 4.54 C ATOM 327 CE3 TRP A 22 1.448 -1.120 9.191 1.00 14.44 C ATOM 328 CZ2 TRP A 22 2.141 -1.241 11.928 1.00 2.23 C ATOM 329 CZ3 TRP A 22 0.661 -0.529 10.162 1.00 60.20 C ATOM 330 CH2 TRP A 22 1.010 -0.593 11.516 1.00 51.02 C ATOM 0 H TRP A 22 6.216 -2.116 8.103 1.00 42.43 H new ATOM 0 HA TRP A 22 4.651 -2.046 5.592 1.00 32.30 H new ATOM 0 HB2 TRP A 22 2.728 -2.549 6.957 1.00 73.43 H new ATOM 0 HB3 TRP A 22 3.974 -3.758 7.199 1.00 73.43 H new ATOM 0 HD1 TRP A 22 5.401 -3.528 9.620 1.00 2.42 H new ATOM 0 HE1 TRP A 22 4.591 -2.742 11.948 1.00 42.22 H new ATOM 0 HE3 TRP A 22 1.171 -1.062 8.149 1.00 14.44 H new ATOM 0 HZ2 TRP A 22 2.410 -1.286 12.973 1.00 2.23 H new ATOM 0 HZ3 TRP A 22 -0.239 -0.009 9.871 1.00 60.20 H new ATOM 0 HH2 TRP A 22 0.373 -0.121 12.250 1.00 51.02 H new ATOM 341 N ALA A 23 3.897 0.293 5.828 1.00 33.05 N ATOM 342 CA ALA A 23 3.624 1.717 5.865 1.00 13.01 C ATOM 343 C ALA A 23 2.718 2.106 4.716 1.00 73.03 C ATOM 344 O ALA A 23 2.509 1.314 3.795 1.00 31.42 O ATOM 345 CB ALA A 23 4.927 2.500 5.793 1.00 60.43 C ATOM 0 H ALA A 23 3.656 -0.159 4.946 1.00 33.05 H new ATOM 0 HA ALA A 23 3.121 1.954 6.803 1.00 13.01 H new ATOM 0 HB1 ALA A 23 4.712 3.568 5.821 1.00 60.43 H new ATOM 0 HB2 ALA A 23 5.558 2.234 6.641 1.00 60.43 H new ATOM 0 HB3 ALA A 23 5.446 2.259 4.865 1.00 60.43 H new ATOM 351 N TYR A 24 2.181 3.318 4.773 1.00 63.32 N ATOM 352 CA TYR A 24 1.342 3.828 3.701 1.00 4.12 C ATOM 353 C TYR A 24 1.116 5.323 3.853 1.00 70.43 C ATOM 354 O TYR A 24 1.252 5.876 4.947 1.00 34.52 O ATOM 355 CB TYR A 24 -0.010 3.096 3.660 1.00 65.11 C ATOM 356 CG TYR A 24 -0.851 3.262 4.912 1.00 42.50 C ATOM 357 CD1 TYR A 24 -1.691 4.359 5.071 1.00 22.34 C ATOM 358 CD2 TYR A 24 -0.808 2.320 5.931 1.00 31.12 C ATOM 359 CE1 TYR A 24 -2.461 4.512 6.208 1.00 31.42 C ATOM 360 CE2 TYR A 24 -1.578 2.465 7.071 1.00 24.52 C ATOM 361 CZ TYR A 24 -2.402 3.564 7.204 1.00 64.22 C ATOM 362 OH TYR A 24 -3.171 3.711 8.336 1.00 60.34 O ATOM 0 H TYR A 24 2.313 3.965 5.551 1.00 63.32 H new ATOM 0 HA TYR A 24 1.864 3.646 2.762 1.00 4.12 H new ATOM 0 HB2 TYR A 24 -0.579 3.458 2.804 1.00 65.11 H new ATOM 0 HB3 TYR A 24 0.171 2.034 3.497 1.00 65.11 H new ATOM 0 HD1 TYR A 24 -1.742 5.105 4.292 1.00 22.34 H new ATOM 0 HD2 TYR A 24 -0.163 1.460 5.832 1.00 31.12 H new ATOM 0 HE1 TYR A 24 -3.106 5.372 6.315 1.00 31.42 H new ATOM 0 HE2 TYR A 24 -1.535 1.722 7.853 1.00 24.52 H new ATOM 0 HH TYR A 24 -3.532 2.840 8.601 1.00 60.34 H new ATOM 372 N ALA A 25 0.784 5.964 2.742 1.00 12.11 N ATOM 373 CA ALA A 25 0.418 7.371 2.733 1.00 45.20 C ATOM 374 C ALA A 25 -0.720 7.605 1.746 1.00 44.00 C ATOM 375 O ALA A 25 -0.507 7.623 0.531 1.00 11.12 O ATOM 376 CB ALA A 25 1.620 8.240 2.378 1.00 30.43 C ATOM 0 H ALA A 25 0.761 5.523 1.823 1.00 12.11 H new ATOM 0 HA ALA A 25 0.083 7.650 3.732 1.00 45.20 H new ATOM 0 HB1 ALA A 25 1.323 9.289 2.377 1.00 30.43 H new ATOM 0 HB2 ALA A 25 2.410 8.087 3.114 1.00 30.43 H new ATOM 0 HB3 ALA A 25 1.988 7.966 1.389 1.00 30.43 H new ATOM 382 N PHE A 26 -1.928 7.744 2.272 1.00 71.54 N ATOM 383 CA PHE A 26 -3.090 8.025 1.442 1.00 74.22 C ATOM 384 C PHE A 26 -3.289 9.524 1.304 1.00 43.45 C ATOM 385 O PHE A 26 -3.652 10.212 2.263 1.00 34.23 O ATOM 386 CB PHE A 26 -4.348 7.363 2.010 1.00 63.41 C ATOM 387 CG PHE A 26 -4.430 5.891 1.715 1.00 14.20 C ATOM 388 CD1 PHE A 26 -3.862 4.961 2.571 1.00 54.32 C ATOM 389 CD2 PHE A 26 -5.077 5.436 0.575 1.00 62.13 C ATOM 390 CE1 PHE A 26 -3.937 3.607 2.297 1.00 13.14 C ATOM 391 CE2 PHE A 26 -5.156 4.084 0.298 1.00 74.10 C ATOM 392 CZ PHE A 26 -4.585 3.170 1.159 1.00 74.21 C ATOM 0 H PHE A 26 -2.129 7.667 3.269 1.00 71.54 H new ATOM 0 HA PHE A 26 -2.910 7.604 0.453 1.00 74.22 H new ATOM 0 HB2 PHE A 26 -4.373 7.512 3.089 1.00 63.41 H new ATOM 0 HB3 PHE A 26 -5.228 7.858 1.599 1.00 63.41 H new ATOM 0 HD1 PHE A 26 -3.355 5.297 3.463 1.00 54.32 H new ATOM 0 HD2 PHE A 26 -5.524 6.147 -0.104 1.00 62.13 H new ATOM 0 HE1 PHE A 26 -3.489 2.893 2.972 1.00 13.14 H new ATOM 0 HE2 PHE A 26 -5.664 3.744 -0.592 1.00 74.10 H new ATOM 0 HZ PHE A 26 -4.645 2.113 0.943 1.00 74.21 H new ATOM 402 N VAL A 27 -3.038 10.020 0.107 1.00 2.43 N ATOM 403 CA VAL A 27 -3.060 11.444 -0.152 1.00 10.24 C ATOM 404 C VAL A 27 -3.918 11.785 -1.372 1.00 71.24 C ATOM 405 O VAL A 27 -3.848 11.122 -2.409 1.00 63.41 O ATOM 406 CB VAL A 27 -1.617 11.987 -0.321 1.00 41.43 C ATOM 407 CG1 VAL A 27 -0.783 11.052 -1.176 1.00 52.54 C ATOM 408 CG2 VAL A 27 -1.618 13.374 -0.942 1.00 51.55 C ATOM 0 H VAL A 27 -2.814 9.449 -0.708 1.00 2.43 H new ATOM 0 HA VAL A 27 -3.516 11.931 0.710 1.00 10.24 H new ATOM 0 HB VAL A 27 -1.177 12.049 0.675 1.00 41.43 H new ATOM 0 HG11 VAL A 27 0.224 11.455 -1.280 1.00 52.54 H new ATOM 0 HG12 VAL A 27 -0.735 10.072 -0.702 1.00 52.54 H new ATOM 0 HG13 VAL A 27 -1.239 10.957 -2.162 1.00 52.54 H new ATOM 0 HG21 VAL A 27 -0.592 13.726 -1.047 1.00 51.55 H new ATOM 0 HG22 VAL A 27 -2.090 13.333 -1.924 1.00 51.55 H new ATOM 0 HG23 VAL A 27 -2.173 14.059 -0.301 1.00 51.55 H new ATOM 418 N LYS A 28 -4.757 12.801 -1.214 1.00 41.14 N ATOM 419 CA LYS A 28 -5.535 13.347 -2.314 1.00 4.54 C ATOM 420 C LYS A 28 -5.687 14.851 -2.119 1.00 15.23 C ATOM 421 O LYS A 28 -5.850 15.315 -0.988 1.00 43.14 O ATOM 422 CB LYS A 28 -6.918 12.675 -2.445 1.00 24.44 C ATOM 423 CG LYS A 28 -7.872 12.891 -1.268 1.00 31.40 C ATOM 424 CD LYS A 28 -7.567 11.966 -0.100 1.00 40.32 C ATOM 425 CE LYS A 28 -8.612 12.092 0.999 1.00 75.04 C ATOM 426 NZ LYS A 28 -9.965 11.665 0.545 1.00 20.30 N ATOM 0 H LYS A 28 -4.916 13.267 -0.321 1.00 41.14 H new ATOM 0 HA LYS A 28 -5.000 13.143 -3.242 1.00 4.54 H new ATOM 0 HB2 LYS A 28 -7.398 13.045 -3.351 1.00 24.44 H new ATOM 0 HB3 LYS A 28 -6.770 11.603 -2.578 1.00 24.44 H new ATOM 0 HG2 LYS A 28 -7.806 13.927 -0.935 1.00 31.40 H new ATOM 0 HG3 LYS A 28 -8.897 12.728 -1.600 1.00 31.40 H new ATOM 0 HD2 LYS A 28 -7.530 10.935 -0.451 1.00 40.32 H new ATOM 0 HD3 LYS A 28 -6.582 12.201 0.304 1.00 40.32 H new ATOM 0 HE2 LYS A 28 -8.311 11.487 1.855 1.00 75.04 H new ATOM 0 HE3 LYS A 28 -8.655 13.127 1.339 1.00 75.04 H new ATOM 0 HZ1 LYS A 28 -10.608 12.482 0.553 1.00 20.30 H new ATOM 0 HZ2 LYS A 28 -9.903 11.283 -0.420 1.00 20.30 H new ATOM 0 HZ3 LYS A 28 -10.330 10.931 1.185 1.00 20.30 H new ATOM 440 N ASP A 29 -5.586 15.604 -3.214 1.00 13.50 N ATOM 441 CA ASP A 29 -5.669 17.074 -3.183 1.00 10.34 C ATOM 442 C ASP A 29 -4.491 17.661 -2.401 1.00 74.43 C ATOM 443 O ASP A 29 -4.487 18.832 -2.027 1.00 51.14 O ATOM 444 CB ASP A 29 -7.004 17.536 -2.570 1.00 32.42 C ATOM 445 CG ASP A 29 -7.311 19.002 -2.839 1.00 53.24 C ATOM 446 OD1 ASP A 29 -7.872 19.307 -3.914 1.00 2.52 O ATOM 447 OD2 ASP A 29 -7.021 19.859 -1.971 1.00 3.04 O ATOM 0 H ASP A 29 -5.445 15.219 -4.148 1.00 13.50 H new ATOM 0 HA ASP A 29 -5.621 17.438 -4.209 1.00 10.34 H new ATOM 0 HB2 ASP A 29 -7.812 16.923 -2.970 1.00 32.42 H new ATOM 0 HB3 ASP A 29 -6.980 17.368 -1.493 1.00 32.42 H new ATOM 452 N GLY A 30 -3.479 16.842 -2.173 1.00 3.45 N ATOM 453 CA GLY A 30 -2.333 17.276 -1.403 1.00 54.22 C ATOM 454 C GLY A 30 -2.511 17.030 0.084 1.00 53.13 C ATOM 455 O GLY A 30 -1.621 17.324 0.878 1.00 73.10 O ATOM 0 H GLY A 30 -3.430 15.880 -2.509 1.00 3.45 H new ATOM 0 HA2 GLY A 30 -1.444 16.751 -1.752 1.00 54.22 H new ATOM 0 HA3 GLY A 30 -2.164 18.339 -1.575 1.00 54.22 H new ATOM 459 N LYS A 31 -3.666 16.499 0.469 1.00 44.32 N ATOM 460 CA LYS A 31 -3.930 16.197 1.870 1.00 44.52 C ATOM 461 C LYS A 31 -3.641 14.741 2.154 1.00 72.24 C ATOM 462 O LYS A 31 -4.034 13.850 1.400 1.00 14.10 O ATOM 463 CB LYS A 31 -5.377 16.506 2.268 1.00 51.42 C ATOM 464 CG LYS A 31 -5.694 17.987 2.434 1.00 63.51 C ATOM 465 CD LYS A 31 -5.467 18.755 1.149 1.00 11.25 C ATOM 466 CE LYS A 31 -5.917 20.197 1.265 1.00 60.21 C ATOM 467 NZ LYS A 31 -5.601 20.964 0.033 1.00 2.41 N ATOM 0 H LYS A 31 -4.431 16.270 -0.166 1.00 44.32 H new ATOM 0 HA LYS A 31 -3.272 16.835 2.461 1.00 44.52 H new ATOM 0 HB2 LYS A 31 -6.043 16.089 1.513 1.00 51.42 H new ATOM 0 HB3 LYS A 31 -5.598 15.995 3.205 1.00 51.42 H new ATOM 0 HG2 LYS A 31 -6.731 18.104 2.750 1.00 63.51 H new ATOM 0 HG3 LYS A 31 -5.071 18.406 3.224 1.00 63.51 H new ATOM 0 HD2 LYS A 31 -4.409 18.725 0.890 1.00 11.25 H new ATOM 0 HD3 LYS A 31 -6.008 18.270 0.336 1.00 11.25 H new ATOM 0 HE2 LYS A 31 -6.990 20.231 1.451 1.00 60.21 H new ATOM 0 HE3 LYS A 31 -5.430 20.664 2.121 1.00 60.21 H new ATOM 0 HZ1 LYS A 31 -5.532 21.976 0.262 1.00 2.41 H new ATOM 0 HZ2 LYS A 31 -4.695 20.635 -0.358 1.00 2.41 H new ATOM 0 HZ3 LYS A 31 -6.354 20.818 -0.669 1.00 2.41 H new ATOM 481 N VAL A 32 -2.972 14.515 3.258 1.00 41.24 N ATOM 482 CA VAL A 32 -2.584 13.177 3.662 1.00 24.24 C ATOM 483 C VAL A 32 -3.402 12.737 4.873 1.00 41.53 C ATOM 484 O VAL A 32 -3.441 13.423 5.897 1.00 13.23 O ATOM 485 CB VAL A 32 -1.062 13.084 3.957 1.00 3.11 C ATOM 486 CG1 VAL A 32 -0.635 14.083 5.023 1.00 61.24 C ATOM 487 CG2 VAL A 32 -0.677 11.669 4.356 1.00 22.11 C ATOM 0 H VAL A 32 -2.680 15.249 3.904 1.00 41.24 H new ATOM 0 HA VAL A 32 -2.792 12.501 2.832 1.00 24.24 H new ATOM 0 HB VAL A 32 -0.532 13.339 3.039 1.00 3.11 H new ATOM 0 HG11 VAL A 32 0.436 13.988 5.202 1.00 61.24 H new ATOM 0 HG12 VAL A 32 -0.858 15.095 4.684 1.00 61.24 H new ATOM 0 HG13 VAL A 32 -1.177 13.883 5.947 1.00 61.24 H new ATOM 0 HG21 VAL A 32 0.393 11.626 4.558 1.00 22.11 H new ATOM 0 HG22 VAL A 32 -1.227 11.381 5.252 1.00 22.11 H new ATOM 0 HG23 VAL A 32 -0.921 10.983 3.545 1.00 22.11 H new ATOM 497 N HIS A 33 -4.077 11.605 4.736 1.00 10.32 N ATOM 498 CA HIS A 33 -4.947 11.101 5.789 1.00 71.30 C ATOM 499 C HIS A 33 -4.119 10.556 6.952 1.00 3.11 C ATOM 500 O HIS A 33 -4.361 10.898 8.107 1.00 63.13 O ATOM 501 CB HIS A 33 -5.883 10.025 5.225 1.00 50.03 C ATOM 502 CG HIS A 33 -6.876 9.490 6.213 1.00 64.34 C ATOM 503 ND1 HIS A 33 -7.886 10.251 6.760 1.00 22.14 N ATOM 504 CD2 HIS A 33 -7.008 8.257 6.748 1.00 63.02 C ATOM 505 CE1 HIS A 33 -8.593 9.505 7.593 1.00 44.31 C ATOM 506 NE2 HIS A 33 -8.079 8.290 7.601 1.00 15.41 N ATOM 0 H HIS A 33 -4.039 11.017 3.904 1.00 10.32 H new ATOM 0 HA HIS A 33 -5.556 11.921 6.169 1.00 71.30 H new ATOM 0 HB2 HIS A 33 -6.423 10.440 4.374 1.00 50.03 H new ATOM 0 HB3 HIS A 33 -5.281 9.198 4.849 1.00 50.03 H new ATOM 0 HD2 HIS A 33 -6.383 7.401 6.541 1.00 63.02 H new ATOM 0 HE1 HIS A 33 -9.446 9.834 8.168 1.00 44.31 H new ATOM 0 HE2 HIS A 33 -8.423 7.504 8.152 1.00 15.41 H new ATOM 515 N TYR A 34 -3.146 9.716 6.639 1.00 2.32 N ATOM 516 CA TYR A 34 -2.233 9.190 7.646 1.00 74.44 C ATOM 517 C TYR A 34 -0.838 9.055 7.079 1.00 12.10 C ATOM 518 O TYR A 34 -0.658 8.662 5.924 1.00 24.12 O ATOM 519 CB TYR A 34 -2.686 7.824 8.163 1.00 33.04 C ATOM 520 CG TYR A 34 -3.549 7.875 9.403 1.00 24.14 C ATOM 521 CD1 TYR A 34 -4.921 8.048 9.314 1.00 71.53 C ATOM 522 CD2 TYR A 34 -2.987 7.734 10.666 1.00 75.44 C ATOM 523 CE1 TYR A 34 -5.711 8.081 10.445 1.00 42.11 C ATOM 524 CE2 TYR A 34 -3.769 7.767 11.805 1.00 64.11 C ATOM 525 CZ TYR A 34 -5.132 7.941 11.689 1.00 15.00 C ATOM 526 OH TYR A 34 -5.922 7.965 12.818 1.00 44.01 O ATOM 0 H TYR A 34 -2.966 9.381 5.692 1.00 2.32 H new ATOM 0 HA TYR A 34 -2.233 9.898 8.475 1.00 74.44 H new ATOM 0 HB2 TYR A 34 -3.238 7.316 7.373 1.00 33.04 H new ATOM 0 HB3 TYR A 34 -1.804 7.220 8.375 1.00 33.04 H new ATOM 0 HD1 TYR A 34 -5.380 8.159 8.343 1.00 71.53 H new ATOM 0 HD2 TYR A 34 -1.920 7.596 10.759 1.00 75.44 H new ATOM 0 HE1 TYR A 34 -6.779 8.216 10.356 1.00 42.11 H new ATOM 0 HE2 TYR A 34 -3.316 7.657 12.779 1.00 64.11 H new ATOM 0 HH TYR A 34 -5.360 7.852 13.613 1.00 44.01 H new ATOM 536 N GLU A 35 0.137 9.387 7.896 1.00 14.03 N ATOM 537 CA GLU A 35 1.528 9.189 7.554 1.00 33.20 C ATOM 538 C GLU A 35 2.233 8.482 8.707 1.00 75.42 C ATOM 539 O GLU A 35 2.283 8.990 9.831 1.00 0.41 O ATOM 540 CB GLU A 35 2.215 10.529 7.217 1.00 30.12 C ATOM 541 CG GLU A 35 2.288 11.535 8.366 1.00 30.42 C ATOM 542 CD GLU A 35 0.932 12.056 8.811 1.00 55.12 C ATOM 543 OE1 GLU A 35 0.309 11.428 9.696 1.00 72.11 O ATOM 544 OE2 GLU A 35 0.491 13.097 8.287 1.00 32.41 O ATOM 0 H GLU A 35 -0.012 9.802 8.816 1.00 14.03 H new ATOM 0 HA GLU A 35 1.591 8.565 6.662 1.00 33.20 H new ATOM 0 HB2 GLU A 35 3.228 10.322 6.873 1.00 30.12 H new ATOM 0 HB3 GLU A 35 1.684 10.991 6.385 1.00 30.12 H new ATOM 0 HG2 GLU A 35 2.784 11.066 9.216 1.00 30.42 H new ATOM 0 HG3 GLU A 35 2.908 12.378 8.060 1.00 30.42 H new ATOM 551 N ASP A 36 2.763 7.302 8.432 1.00 41.24 N ATOM 552 CA ASP A 36 3.412 6.497 9.461 1.00 22.11 C ATOM 553 C ASP A 36 4.182 5.365 8.800 1.00 62.04 C ATOM 554 O ASP A 36 3.951 5.062 7.628 1.00 3.24 O ATOM 555 CB ASP A 36 2.372 5.927 10.439 1.00 11.54 C ATOM 556 CG ASP A 36 2.963 5.591 11.796 1.00 45.52 C ATOM 557 OD1 ASP A 36 3.538 4.497 11.950 1.00 52.01 O ATOM 558 OD2 ASP A 36 2.848 6.426 12.721 1.00 0.11 O ATOM 0 H ASP A 36 2.758 6.877 7.505 1.00 41.24 H new ATOM 0 HA ASP A 36 4.100 7.127 10.025 1.00 22.11 H new ATOM 0 HB2 ASP A 36 1.566 6.650 10.568 1.00 11.54 H new ATOM 0 HB3 ASP A 36 1.929 5.029 10.008 1.00 11.54 H new ATOM 563 N ALA A 37 5.090 4.753 9.543 1.00 32.51 N ATOM 564 CA ALA A 37 5.917 3.679 9.021 1.00 51.22 C ATOM 565 C ALA A 37 6.469 2.851 10.166 1.00 24.34 C ATOM 566 O ALA A 37 7.151 3.377 11.048 1.00 51.41 O ATOM 567 CB ALA A 37 7.052 4.242 8.181 1.00 23.51 C ATOM 0 H ALA A 37 5.273 4.985 10.519 1.00 32.51 H new ATOM 0 HA ALA A 37 5.304 3.040 8.385 1.00 51.22 H new ATOM 0 HB1 ALA A 37 7.662 3.424 7.798 1.00 23.51 H new ATOM 0 HB2 ALA A 37 6.640 4.809 7.346 1.00 23.51 H new ATOM 0 HB3 ALA A 37 7.669 4.897 8.796 1.00 23.51 H new ATOM 573 N ASP A 38 6.173 1.566 10.165 1.00 11.11 N ATOM 574 CA ASP A 38 6.603 0.702 11.249 1.00 11.12 C ATOM 575 C ASP A 38 7.227 -0.570 10.694 1.00 40.32 C ATOM 576 O ASP A 38 6.908 -0.996 9.584 1.00 43.34 O ATOM 577 CB ASP A 38 5.419 0.377 12.156 1.00 54.54 C ATOM 578 CG ASP A 38 5.843 -0.265 13.458 1.00 33.24 C ATOM 579 OD1 ASP A 38 6.706 0.312 14.154 1.00 71.11 O ATOM 580 OD2 ASP A 38 5.296 -1.331 13.802 1.00 65.12 O ATOM 0 H ASP A 38 5.640 1.099 9.431 1.00 11.11 H new ATOM 0 HA ASP A 38 7.359 1.220 11.840 1.00 11.12 H new ATOM 0 HB2 ASP A 38 4.867 1.293 12.369 1.00 54.54 H new ATOM 0 HB3 ASP A 38 4.737 -0.291 11.631 1.00 54.54 H new ATOM 585 N VAL A 39 8.124 -1.166 11.463 1.00 12.35 N ATOM 586 CA VAL A 39 8.878 -2.323 11.006 1.00 44.11 C ATOM 587 C VAL A 39 8.105 -3.620 11.209 1.00 71.24 C ATOM 588 O VAL A 39 7.017 -3.627 11.783 1.00 53.03 O ATOM 589 CB VAL A 39 10.231 -2.426 11.735 1.00 53.40 C ATOM 590 CG1 VAL A 39 11.126 -1.258 11.358 1.00 14.52 C ATOM 591 CG2 VAL A 39 10.033 -2.481 13.243 1.00 5.11 C ATOM 0 H VAL A 39 8.349 -0.866 12.412 1.00 12.35 H new ATOM 0 HA VAL A 39 9.049 -2.181 9.939 1.00 44.11 H new ATOM 0 HB VAL A 39 10.716 -3.351 11.423 1.00 53.40 H new ATOM 0 HG11 VAL A 39 12.078 -1.345 11.881 1.00 14.52 H new ATOM 0 HG12 VAL A 39 11.301 -1.266 10.282 1.00 14.52 H new ATOM 0 HG13 VAL A 39 10.642 -0.323 11.639 1.00 14.52 H new ATOM 0 HG21 VAL A 39 11.003 -2.554 13.735 1.00 5.11 H new ATOM 0 HG22 VAL A 39 9.524 -1.577 13.576 1.00 5.11 H new ATOM 0 HG23 VAL A 39 9.430 -3.352 13.499 1.00 5.11 H new ATOM 601 N GLY A 40 8.678 -4.718 10.723 1.00 62.12 N ATOM 602 CA GLY A 40 8.084 -6.021 10.932 1.00 42.25 C ATOM 603 C GLY A 40 8.244 -6.476 12.366 1.00 55.25 C ATOM 604 O GLY A 40 9.219 -7.150 12.708 1.00 32.33 O ATOM 0 H GLY A 40 9.546 -4.725 10.187 1.00 62.12 H new ATOM 0 HA2 GLY A 40 7.025 -5.985 10.676 1.00 42.25 H new ATOM 0 HA3 GLY A 40 8.549 -6.746 10.264 1.00 42.25 H new ATOM 608 N LYS A 41 7.301 -6.084 13.204 1.00 61.42 N ATOM 609 CA LYS A 41 7.351 -6.392 14.617 1.00 30.10 C ATOM 610 C LYS A 41 6.596 -7.675 14.918 1.00 52.44 C ATOM 611 O LYS A 41 6.231 -8.426 14.011 1.00 13.42 O ATOM 612 CB LYS A 41 6.753 -5.240 15.425 1.00 32.31 C ATOM 613 CG LYS A 41 7.485 -3.922 15.243 1.00 0.03 C ATOM 614 CD LYS A 41 6.808 -2.798 16.006 1.00 43.01 C ATOM 615 CE LYS A 41 6.795 -3.055 17.502 1.00 43.32 C ATOM 616 NZ LYS A 41 6.015 -2.022 18.227 1.00 54.11 N ATOM 0 H LYS A 41 6.482 -5.545 12.923 1.00 61.42 H new ATOM 0 HA LYS A 41 8.395 -6.530 14.900 1.00 30.10 H new ATOM 0 HB2 LYS A 41 5.710 -5.109 15.137 1.00 32.31 H new ATOM 0 HB3 LYS A 41 6.761 -5.507 16.482 1.00 32.31 H new ATOM 0 HG2 LYS A 41 8.515 -4.026 15.585 1.00 0.03 H new ATOM 0 HG3 LYS A 41 7.525 -3.671 14.183 1.00 0.03 H new ATOM 0 HD2 LYS A 41 7.324 -1.860 15.804 1.00 43.01 H new ATOM 0 HD3 LYS A 41 5.785 -2.682 15.649 1.00 43.01 H new ATOM 0 HE2 LYS A 41 6.369 -4.039 17.699 1.00 43.32 H new ATOM 0 HE3 LYS A 41 7.818 -3.070 17.878 1.00 43.32 H new ATOM 0 HZ1 LYS A 41 6.028 -2.229 19.246 1.00 54.11 H new ATOM 0 HZ2 LYS A 41 6.437 -1.087 18.059 1.00 54.11 H new ATOM 0 HZ3 LYS A 41 5.033 -2.025 17.885 1.00 54.11 H new ATOM 630 N ASN A 42 6.376 -7.906 16.200 1.00 22.13 N ATOM 631 CA ASN A 42 5.682 -9.095 16.683 1.00 20.55 C ATOM 632 C ASN A 42 4.286 -9.208 16.068 1.00 12.43 C ATOM 633 O ASN A 42 3.657 -8.194 15.753 1.00 11.42 O ATOM 634 CB ASN A 42 5.580 -9.040 18.209 1.00 65.41 C ATOM 635 CG ASN A 42 6.120 -10.287 18.878 1.00 14.12 C ATOM 636 OD1 ASN A 42 6.982 -10.975 18.333 1.00 20.32 O ATOM 637 ND2 ASN A 42 5.627 -10.579 20.069 1.00 63.11 N ATOM 0 H ASN A 42 6.674 -7.273 16.942 1.00 22.13 H new ATOM 0 HA ASN A 42 6.252 -9.975 16.384 1.00 20.55 H new ATOM 0 HB2 ASN A 42 6.127 -8.171 18.574 1.00 65.41 H new ATOM 0 HB3 ASN A 42 4.537 -8.903 18.494 1.00 65.41 H new ATOM 0 HD21 ASN A 42 5.961 -11.402 20.571 1.00 63.11 H new ATOM 0 HD22 ASN A 42 4.913 -9.982 20.486 1.00 63.11 H new ATOM 644 N PRO A 43 3.778 -10.445 15.903 1.00 2.30 N ATOM 645 CA PRO A 43 2.464 -10.706 15.291 1.00 34.12 C ATOM 646 C PRO A 43 1.318 -10.004 16.020 1.00 53.31 C ATOM 647 O PRO A 43 0.211 -9.897 15.491 1.00 54.01 O ATOM 648 CB PRO A 43 2.307 -12.229 15.390 1.00 12.41 C ATOM 649 CG PRO A 43 3.302 -12.658 16.410 1.00 62.03 C ATOM 650 CD PRO A 43 4.446 -11.698 16.288 1.00 70.41 C ATOM 0 HA PRO A 43 2.421 -10.326 14.270 1.00 34.12 H new ATOM 0 HB2 PRO A 43 1.295 -12.502 15.688 1.00 12.41 H new ATOM 0 HB3 PRO A 43 2.496 -12.708 14.429 1.00 12.41 H new ATOM 0 HG2 PRO A 43 2.873 -12.631 17.412 1.00 62.03 H new ATOM 0 HG3 PRO A 43 3.629 -13.682 16.231 1.00 62.03 H new ATOM 0 HD2 PRO A 43 4.990 -11.595 17.227 1.00 70.41 H new ATOM 0 HD3 PRO A 43 5.166 -12.020 15.536 1.00 70.41 H new ATOM 658 N ALA A 44 1.591 -9.529 17.232 1.00 51.25 N ATOM 659 CA ALA A 44 0.610 -8.782 18.007 1.00 51.05 C ATOM 660 C ALA A 44 0.112 -7.571 17.227 1.00 32.44 C ATOM 661 O ALA A 44 -1.089 -7.332 17.144 1.00 14.55 O ATOM 662 CB ALA A 44 1.211 -8.345 19.334 1.00 70.12 C ATOM 0 H ALA A 44 2.490 -9.650 17.699 1.00 51.25 H new ATOM 0 HA ALA A 44 -0.241 -9.434 18.204 1.00 51.05 H new ATOM 0 HB1 ALA A 44 0.468 -7.788 19.904 1.00 70.12 H new ATOM 0 HB2 ALA A 44 1.519 -9.224 19.901 1.00 70.12 H new ATOM 0 HB3 ALA A 44 2.078 -7.710 19.149 1.00 70.12 H new ATOM 668 N ALA A 45 1.040 -6.834 16.625 1.00 3.01 N ATOM 669 CA ALA A 45 0.695 -5.644 15.853 1.00 71.11 C ATOM 670 C ALA A 45 0.070 -6.032 14.516 1.00 42.25 C ATOM 671 O ALA A 45 -0.767 -5.311 13.974 1.00 70.45 O ATOM 672 CB ALA A 45 1.930 -4.781 15.629 1.00 24.32 C ATOM 0 H ALA A 45 2.039 -7.040 16.657 1.00 3.01 H new ATOM 0 HA ALA A 45 -0.036 -5.067 16.420 1.00 71.11 H new ATOM 0 HB1 ALA A 45 1.657 -3.898 15.052 1.00 24.32 H new ATOM 0 HB2 ALA A 45 2.339 -4.474 16.592 1.00 24.32 H new ATOM 0 HB3 ALA A 45 2.680 -5.353 15.083 1.00 24.32 H new ATOM 678 N ALA A 46 0.478 -7.187 13.998 1.00 15.42 N ATOM 679 CA ALA A 46 -0.039 -7.691 12.730 1.00 11.32 C ATOM 680 C ALA A 46 -1.478 -8.172 12.884 1.00 22.23 C ATOM 681 O ALA A 46 -2.232 -8.251 11.909 1.00 10.45 O ATOM 682 CB ALA A 46 0.839 -8.820 12.215 1.00 3.13 C ATOM 0 H ALA A 46 1.169 -7.794 14.440 1.00 15.42 H new ATOM 0 HA ALA A 46 -0.026 -6.875 12.007 1.00 11.32 H new ATOM 0 HB1 ALA A 46 0.442 -9.187 11.268 1.00 3.13 H new ATOM 0 HB2 ALA A 46 1.854 -8.452 12.065 1.00 3.13 H new ATOM 0 HB3 ALA A 46 0.852 -9.632 12.942 1.00 3.13 H new ATOM 688 N THR A 47 -1.845 -8.499 14.117 1.00 40.11 N ATOM 689 CA THR A 47 -3.191 -8.954 14.429 1.00 13.54 C ATOM 690 C THR A 47 -4.040 -7.793 14.945 1.00 40.32 C ATOM 691 O THR A 47 -5.151 -7.560 14.462 1.00 41.33 O ATOM 692 CB THR A 47 -3.163 -10.078 15.485 1.00 23.22 C ATOM 693 OG1 THR A 47 -2.195 -11.070 15.113 1.00 20.32 O ATOM 694 CG2 THR A 47 -4.530 -10.731 15.622 1.00 3.24 C ATOM 0 H THR A 47 -1.221 -8.456 14.923 1.00 40.11 H new ATOM 0 HA THR A 47 -3.631 -9.345 13.512 1.00 13.54 H new ATOM 0 HB THR A 47 -2.891 -9.638 16.444 1.00 23.22 H new ATOM 0 HG1 THR A 47 -1.300 -10.768 15.374 1.00 20.32 H new ATOM 0 HG21 THR A 47 -4.483 -11.520 16.373 1.00 3.24 H new ATOM 0 HG22 THR A 47 -5.262 -9.983 15.927 1.00 3.24 H new ATOM 0 HG23 THR A 47 -4.827 -11.159 14.664 1.00 3.24 H new ATOM 702 N MET A 48 -3.501 -7.052 15.910 1.00 32.23 N ATOM 703 CA MET A 48 -4.194 -5.907 16.484 1.00 73.32 C ATOM 704 C MET A 48 -3.864 -4.658 15.684 1.00 60.43 C ATOM 705 O MET A 48 -3.163 -3.760 16.151 1.00 60.55 O ATOM 706 CB MET A 48 -3.819 -5.707 17.959 1.00 32.44 C ATOM 707 CG MET A 48 -4.169 -6.891 18.846 1.00 44.43 C ATOM 708 SD MET A 48 -3.760 -6.611 20.583 1.00 4.40 S ATOM 709 CE MET A 48 -1.994 -6.326 20.478 1.00 54.03 C ATOM 0 H MET A 48 -2.580 -7.228 16.312 1.00 32.23 H new ATOM 0 HA MET A 48 -5.266 -6.097 16.438 1.00 73.32 H new ATOM 0 HB2 MET A 48 -2.748 -5.516 18.029 1.00 32.44 H new ATOM 0 HB3 MET A 48 -4.327 -4.819 18.336 1.00 32.44 H new ATOM 0 HG2 MET A 48 -5.235 -7.102 18.758 1.00 44.43 H new ATOM 0 HG3 MET A 48 -3.639 -7.774 18.491 1.00 44.43 H new ATOM 0 HE1 MET A 48 -1.500 -6.785 21.334 1.00 54.03 H new ATOM 0 HE2 MET A 48 -1.609 -6.766 19.558 1.00 54.03 H new ATOM 0 HE3 MET A 48 -1.798 -5.254 20.478 1.00 54.03 H new ATOM 719 N ARG A 49 -4.343 -4.630 14.455 1.00 21.11 N ATOM 720 CA ARG A 49 -4.103 -3.507 13.569 1.00 62.31 C ATOM 721 C ARG A 49 -4.978 -2.318 13.954 1.00 14.42 C ATOM 722 O ARG A 49 -6.103 -2.189 13.477 1.00 72.12 O ATOM 723 CB ARG A 49 -4.375 -3.909 12.118 1.00 3.21 C ATOM 724 CG ARG A 49 -3.490 -5.039 11.619 1.00 10.14 C ATOM 725 CD ARG A 49 -3.805 -5.387 10.175 1.00 51.32 C ATOM 726 NE ARG A 49 -2.899 -6.405 9.644 1.00 64.14 N ATOM 727 CZ ARG A 49 -2.632 -6.561 8.346 1.00 44.43 C ATOM 728 NH1 ARG A 49 -3.227 -5.791 7.442 1.00 52.22 N ATOM 729 NH2 ARG A 49 -1.774 -7.492 7.946 1.00 32.15 N ATOM 0 H ARG A 49 -4.904 -5.377 14.046 1.00 21.11 H new ATOM 0 HA ARG A 49 -3.058 -3.213 13.666 1.00 62.31 H new ATOM 0 HB2 ARG A 49 -5.419 -4.208 12.023 1.00 3.21 H new ATOM 0 HB3 ARG A 49 -4.233 -3.039 11.477 1.00 3.21 H new ATOM 0 HG2 ARG A 49 -2.443 -4.750 11.706 1.00 10.14 H new ATOM 0 HG3 ARG A 49 -3.631 -5.919 12.247 1.00 10.14 H new ATOM 0 HD2 ARG A 49 -4.832 -5.744 10.105 1.00 51.32 H new ATOM 0 HD3 ARG A 49 -3.738 -4.488 9.563 1.00 51.32 H new ATOM 0 HE ARG A 49 -2.444 -7.034 10.306 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -3.892 -5.076 7.739 1.00 52.22 H new ATOM 0 HH12 ARG A 49 -3.019 -5.914 6.451 1.00 52.22 H new ATOM 0 HH21 ARG A 49 -1.316 -8.092 8.632 1.00 32.15 H new ATOM 0 HH22 ARG A 49 -1.573 -7.607 6.953 1.00 32.15 H new ATOM 743 N ASN A 50 -4.475 -1.470 14.844 1.00 45.25 N ATOM 744 CA ASN A 50 -5.190 -0.256 15.227 1.00 73.24 C ATOM 745 C ASN A 50 -5.173 0.753 14.087 1.00 11.33 C ATOM 746 O ASN A 50 -6.212 1.062 13.507 1.00 34.41 O ATOM 747 CB ASN A 50 -4.586 0.371 16.488 1.00 60.32 C ATOM 748 CG ASN A 50 -4.830 -0.460 17.733 1.00 14.12 C ATOM 749 OD1 ASN A 50 -4.025 -1.319 18.088 1.00 12.51 O ATOM 750 ND2 ASN A 50 -5.944 -0.209 18.405 1.00 42.23 N ATOM 0 H ASN A 50 -3.578 -1.599 15.313 1.00 45.25 H new ATOM 0 HA ASN A 50 -6.222 -0.533 15.444 1.00 73.24 H new ATOM 0 HB2 ASN A 50 -3.513 0.498 16.346 1.00 60.32 H new ATOM 0 HB3 ASN A 50 -5.009 1.365 16.632 1.00 60.32 H new ATOM 0 HD21 ASN A 50 -6.160 -0.737 19.251 1.00 42.23 H new ATOM 0 HD22 ASN A 50 -6.586 0.512 18.077 1.00 42.23 H new ATOM 757 N VAL A 51 -3.982 1.242 13.757 1.00 70.04 N ATOM 758 CA VAL A 51 -3.816 2.215 12.678 1.00 4.54 C ATOM 759 C VAL A 51 -4.295 1.633 11.348 1.00 61.31 C ATOM 760 O VAL A 51 -5.078 2.250 10.629 1.00 54.33 O ATOM 761 CB VAL A 51 -2.341 2.652 12.544 1.00 11.42 C ATOM 762 CG1 VAL A 51 -2.188 3.747 11.501 1.00 33.15 C ATOM 763 CG2 VAL A 51 -1.793 3.111 13.885 1.00 61.33 C ATOM 0 H VAL A 51 -3.113 0.980 14.222 1.00 70.04 H new ATOM 0 HA VAL A 51 -4.420 3.087 12.928 1.00 4.54 H new ATOM 0 HB VAL A 51 -1.764 1.788 12.213 1.00 11.42 H new ATOM 0 HG11 VAL A 51 -1.139 4.036 11.427 1.00 33.15 H new ATOM 0 HG12 VAL A 51 -2.532 3.379 10.534 1.00 33.15 H new ATOM 0 HG13 VAL A 51 -2.783 4.613 11.792 1.00 33.15 H new ATOM 0 HG21 VAL A 51 -0.753 3.414 13.768 1.00 61.33 H new ATOM 0 HG22 VAL A 51 -2.379 3.956 14.248 1.00 61.33 H new ATOM 0 HG23 VAL A 51 -1.854 2.293 14.602 1.00 61.33 H new ATOM 773 N ALA A 52 -3.840 0.422 11.054 1.00 31.15 N ATOM 774 CA ALA A 52 -4.208 -0.273 9.823 1.00 14.11 C ATOM 775 C ALA A 52 -5.681 -0.680 9.827 1.00 64.31 C ATOM 776 O ALA A 52 -6.229 -1.065 8.794 1.00 52.41 O ATOM 777 CB ALA A 52 -3.322 -1.491 9.620 1.00 62.43 C ATOM 0 H ALA A 52 -3.209 -0.106 11.657 1.00 31.15 H new ATOM 0 HA ALA A 52 -4.058 0.417 8.993 1.00 14.11 H new ATOM 0 HB1 ALA A 52 -3.608 -1.999 8.699 1.00 62.43 H new ATOM 0 HB2 ALA A 52 -2.281 -1.176 9.553 1.00 62.43 H new ATOM 0 HB3 ALA A 52 -3.442 -2.172 10.462 1.00 62.43 H new ATOM 783 N GLY A 53 -6.303 -0.616 11.000 1.00 1.33 N ATOM 784 CA GLY A 53 -7.689 -1.022 11.150 1.00 14.11 C ATOM 785 C GLY A 53 -8.641 -0.234 10.274 1.00 34.11 C ATOM 786 O GLY A 53 -9.589 -0.798 9.728 1.00 74.35 O ATOM 0 H GLY A 53 -5.865 -0.286 11.860 1.00 1.33 H new ATOM 0 HA2 GLY A 53 -7.778 -2.082 10.910 1.00 14.11 H new ATOM 0 HA3 GLY A 53 -7.984 -0.905 12.193 1.00 14.11 H new ATOM 790 N GLU A 54 -8.392 1.064 10.122 1.00 34.04 N ATOM 791 CA GLU A 54 -9.232 1.891 9.266 1.00 41.32 C ATOM 792 C GLU A 54 -9.098 1.447 7.814 1.00 12.05 C ATOM 793 O GLU A 54 -10.042 1.543 7.036 1.00 40.02 O ATOM 794 CB GLU A 54 -8.879 3.373 9.396 1.00 71.04 C ATOM 795 CG GLU A 54 -7.446 3.704 9.012 1.00 72.20 C ATOM 796 CD GLU A 54 -7.269 5.157 8.635 1.00 33.44 C ATOM 797 OE1 GLU A 54 -8.052 6.011 9.119 1.00 3.31 O ATOM 798 OE2 GLU A 54 -6.357 5.453 7.838 1.00 53.32 O ATOM 0 H GLU A 54 -7.624 1.560 10.575 1.00 34.04 H new ATOM 0 HA GLU A 54 -10.265 1.764 9.589 1.00 41.32 H new ATOM 0 HB2 GLU A 54 -9.556 3.953 8.769 1.00 71.04 H new ATOM 0 HB3 GLU A 54 -9.050 3.688 10.425 1.00 71.04 H new ATOM 0 HG2 GLU A 54 -6.785 3.465 9.845 1.00 72.20 H new ATOM 0 HG3 GLU A 54 -7.143 3.075 8.175 1.00 72.20 H new ATOM 805 N ILE A 55 -7.923 0.935 7.466 1.00 52.15 N ATOM 806 CA ILE A 55 -7.674 0.413 6.131 1.00 5.45 C ATOM 807 C ILE A 55 -8.456 -0.883 5.928 1.00 23.20 C ATOM 808 O ILE A 55 -8.983 -1.146 4.848 1.00 10.25 O ATOM 809 CB ILE A 55 -6.167 0.158 5.906 1.00 1.04 C ATOM 810 CG1 ILE A 55 -5.364 1.436 6.170 1.00 64.31 C ATOM 811 CG2 ILE A 55 -5.905 -0.353 4.496 1.00 64.31 C ATOM 812 CD1 ILE A 55 -5.768 2.608 5.300 1.00 34.22 C ATOM 0 H ILE A 55 -7.124 0.871 8.096 1.00 52.15 H new ATOM 0 HA ILE A 55 -8.006 1.156 5.406 1.00 5.45 H new ATOM 0 HB ILE A 55 -5.844 -0.609 6.609 1.00 1.04 H new ATOM 0 HG12 ILE A 55 -5.481 1.717 7.217 1.00 64.31 H new ATOM 0 HG13 ILE A 55 -4.306 1.227 6.012 1.00 64.31 H new ATOM 0 HG21 ILE A 55 -4.837 -0.524 4.364 1.00 64.31 H new ATOM 0 HG22 ILE A 55 -6.444 -1.288 4.342 1.00 64.31 H new ATOM 0 HG23 ILE A 55 -6.246 0.387 3.772 1.00 64.31 H new ATOM 0 HD11 ILE A 55 -5.154 3.474 5.548 1.00 34.22 H new ATOM 0 HD12 ILE A 55 -5.624 2.349 4.251 1.00 34.22 H new ATOM 0 HD13 ILE A 55 -6.817 2.846 5.474 1.00 34.22 H new ATOM 824 N ALA A 56 -8.547 -1.672 6.992 1.00 11.20 N ATOM 825 CA ALA A 56 -9.301 -2.919 6.962 1.00 33.03 C ATOM 826 C ALA A 56 -10.800 -2.641 6.903 1.00 62.15 C ATOM 827 O ALA A 56 -11.569 -3.429 6.355 1.00 3.43 O ATOM 828 CB ALA A 56 -8.957 -3.773 8.174 1.00 1.32 C ATOM 0 H ALA A 56 -8.106 -1.469 7.889 1.00 11.20 H new ATOM 0 HA ALA A 56 -9.025 -3.470 6.063 1.00 33.03 H new ATOM 0 HB1 ALA A 56 -9.527 -4.701 8.139 1.00 1.32 H new ATOM 0 HB2 ALA A 56 -7.891 -4.001 8.167 1.00 1.32 H new ATOM 0 HB3 ALA A 56 -9.206 -3.229 9.085 1.00 1.32 H new ATOM 834 N ALA A 57 -11.207 -1.515 7.469 1.00 4.44 N ATOM 835 CA ALA A 57 -12.597 -1.088 7.413 1.00 44.01 C ATOM 836 C ALA A 57 -12.905 -0.475 6.053 1.00 74.21 C ATOM 837 O ALA A 57 -13.982 -0.677 5.494 1.00 74.45 O ATOM 838 CB ALA A 57 -12.887 -0.092 8.525 1.00 73.31 C ATOM 0 H ALA A 57 -10.591 -0.878 7.975 1.00 4.44 H new ATOM 0 HA ALA A 57 -13.238 -1.959 7.553 1.00 44.01 H new ATOM 0 HB1 ALA A 57 -13.930 0.219 8.472 1.00 73.31 H new ATOM 0 HB2 ALA A 57 -12.697 -0.560 9.491 1.00 73.31 H new ATOM 0 HB3 ALA A 57 -12.242 0.779 8.410 1.00 73.31 H new ATOM 844 N ALA A 58 -11.936 0.262 5.520 1.00 45.32 N ATOM 845 CA ALA A 58 -12.069 0.897 4.214 1.00 11.23 C ATOM 846 C ALA A 58 -12.132 -0.139 3.100 1.00 71.14 C ATOM 847 O ALA A 58 -12.611 0.149 2.006 1.00 41.51 O ATOM 848 CB ALA A 58 -10.922 1.868 3.972 1.00 53.41 C ATOM 0 H ALA A 58 -11.041 0.435 5.978 1.00 45.32 H new ATOM 0 HA ALA A 58 -13.006 1.454 4.208 1.00 11.23 H new ATOM 0 HB1 ALA A 58 -11.039 2.332 2.993 1.00 53.41 H new ATOM 0 HB2 ALA A 58 -10.930 2.639 4.742 1.00 53.41 H new ATOM 0 HB3 ALA A 58 -9.975 1.329 4.008 1.00 53.41 H new ATOM 854 N LEU A 59 -11.636 -1.340 3.389 1.00 30.25 N ATOM 855 CA LEU A 59 -11.620 -2.441 2.426 1.00 24.13 C ATOM 856 C LEU A 59 -12.996 -2.658 1.796 1.00 43.42 C ATOM 857 O LEU A 59 -13.097 -3.024 0.627 1.00 64.54 O ATOM 858 CB LEU A 59 -11.161 -3.726 3.113 1.00 5.30 C ATOM 859 CG LEU A 59 -10.981 -4.937 2.191 1.00 44.14 C ATOM 860 CD1 LEU A 59 -9.904 -4.669 1.151 1.00 4.04 C ATOM 861 CD2 LEU A 59 -10.643 -6.178 3.002 1.00 13.24 C ATOM 0 H LEU A 59 -11.234 -1.578 4.296 1.00 30.25 H new ATOM 0 HA LEU A 59 -10.922 -2.178 1.631 1.00 24.13 H new ATOM 0 HB2 LEU A 59 -10.214 -3.530 3.616 1.00 5.30 H new ATOM 0 HB3 LEU A 59 -11.886 -3.984 3.885 1.00 5.30 H new ATOM 0 HG LEU A 59 -11.922 -5.111 1.669 1.00 44.14 H new ATOM 0 HD11 LEU A 59 -9.794 -5.542 0.508 1.00 4.04 H new ATOM 0 HD12 LEU A 59 -10.188 -3.807 0.547 1.00 4.04 H new ATOM 0 HD13 LEU A 59 -8.957 -4.465 1.652 1.00 4.04 H new ATOM 0 HD21 LEU A 59 -10.519 -7.028 2.331 1.00 13.24 H new ATOM 0 HD22 LEU A 59 -9.717 -6.012 3.553 1.00 13.24 H new ATOM 0 HD23 LEU A 59 -11.451 -6.385 3.704 1.00 13.24 H new ATOM 873 N TYR A 60 -14.046 -2.431 2.575 1.00 33.25 N ATOM 874 CA TYR A 60 -15.411 -2.540 2.070 1.00 25.12 C ATOM 875 C TYR A 60 -15.645 -1.546 0.935 1.00 60.35 C ATOM 876 O TYR A 60 -16.142 -1.913 -0.129 1.00 12.15 O ATOM 877 CB TYR A 60 -16.422 -2.303 3.195 1.00 24.31 C ATOM 878 CG TYR A 60 -17.860 -2.535 2.781 1.00 2.21 C ATOM 879 CD1 TYR A 60 -18.362 -3.822 2.651 1.00 20.12 C ATOM 880 CD2 TYR A 60 -18.711 -1.469 2.523 1.00 14.55 C ATOM 881 CE1 TYR A 60 -19.673 -4.040 2.275 1.00 20.40 C ATOM 882 CE2 TYR A 60 -20.025 -1.679 2.149 1.00 45.32 C ATOM 883 CZ TYR A 60 -20.501 -2.965 2.026 1.00 33.51 C ATOM 884 OH TYR A 60 -21.811 -3.182 1.653 1.00 53.01 O ATOM 0 H TYR A 60 -13.980 -2.170 3.559 1.00 33.25 H new ATOM 0 HA TYR A 60 -15.550 -3.549 1.683 1.00 25.12 H new ATOM 0 HB2 TYR A 60 -16.183 -2.961 4.030 1.00 24.31 H new ATOM 0 HB3 TYR A 60 -16.318 -1.280 3.555 1.00 24.31 H new ATOM 0 HD1 TYR A 60 -17.718 -4.666 2.847 1.00 20.12 H new ATOM 0 HD2 TYR A 60 -18.340 -0.459 2.616 1.00 14.55 H new ATOM 0 HE1 TYR A 60 -20.048 -5.048 2.176 1.00 20.40 H new ATOM 0 HE2 TYR A 60 -20.675 -0.839 1.954 1.00 45.32 H new ATOM 0 HH TYR A 60 -22.259 -2.321 1.516 1.00 53.01 H new ATOM 894 N ALA A 61 -15.267 -0.292 1.162 1.00 14.00 N ATOM 895 CA ALA A 61 -15.401 0.749 0.147 1.00 12.33 C ATOM 896 C ALA A 61 -14.455 0.482 -1.019 1.00 14.21 C ATOM 897 O ALA A 61 -14.746 0.827 -2.163 1.00 51.15 O ATOM 898 CB ALA A 61 -15.127 2.118 0.755 1.00 61.23 C ATOM 0 H ALA A 61 -14.864 0.029 2.042 1.00 14.00 H new ATOM 0 HA ALA A 61 -16.423 0.736 -0.231 1.00 12.33 H new ATOM 0 HB1 ALA A 61 -15.230 2.885 -0.013 1.00 61.23 H new ATOM 0 HB2 ALA A 61 -15.840 2.309 1.557 1.00 61.23 H new ATOM 0 HB3 ALA A 61 -14.114 2.141 1.157 1.00 61.23 H new ATOM 904 N VAL A 62 -13.327 -0.142 -0.716 1.00 54.52 N ATOM 905 CA VAL A 62 -12.368 -0.538 -1.737 1.00 71.23 C ATOM 906 C VAL A 62 -12.975 -1.593 -2.658 1.00 75.11 C ATOM 907 O VAL A 62 -12.873 -1.497 -3.878 1.00 65.30 O ATOM 908 CB VAL A 62 -11.074 -1.087 -1.104 1.00 54.14 C ATOM 909 CG1 VAL A 62 -10.133 -1.618 -2.168 1.00 34.52 C ATOM 910 CG2 VAL A 62 -10.389 -0.014 -0.274 1.00 3.23 C ATOM 0 H VAL A 62 -13.052 -0.387 0.235 1.00 54.52 H new ATOM 0 HA VAL A 62 -12.120 0.349 -2.319 1.00 71.23 H new ATOM 0 HB VAL A 62 -11.343 -1.914 -0.447 1.00 54.14 H new ATOM 0 HG11 VAL A 62 -9.228 -1.999 -1.696 1.00 34.52 H new ATOM 0 HG12 VAL A 62 -10.622 -2.422 -2.718 1.00 34.52 H new ATOM 0 HG13 VAL A 62 -9.872 -0.814 -2.857 1.00 34.52 H new ATOM 0 HG21 VAL A 62 -9.478 -0.420 0.165 1.00 3.23 H new ATOM 0 HG22 VAL A 62 -10.138 0.834 -0.911 1.00 3.23 H new ATOM 0 HG23 VAL A 62 -11.059 0.315 0.520 1.00 3.23 H new ATOM 920 N LYS A 63 -13.620 -2.588 -2.067 1.00 22.13 N ATOM 921 CA LYS A 63 -14.277 -3.637 -2.834 1.00 41.10 C ATOM 922 C LYS A 63 -15.477 -3.057 -3.577 1.00 24.31 C ATOM 923 O LYS A 63 -15.827 -3.492 -4.672 1.00 33.34 O ATOM 924 CB LYS A 63 -14.719 -4.759 -1.896 1.00 43.15 C ATOM 925 CG LYS A 63 -15.114 -6.041 -2.603 1.00 41.35 C ATOM 926 CD LYS A 63 -15.482 -7.118 -1.599 1.00 54.41 C ATOM 927 CE LYS A 63 -15.618 -8.481 -2.261 1.00 34.40 C ATOM 928 NZ LYS A 63 -16.711 -8.507 -3.269 1.00 74.20 N ATOM 0 H LYS A 63 -13.703 -2.691 -1.056 1.00 22.13 H new ATOM 0 HA LYS A 63 -13.579 -4.046 -3.565 1.00 41.10 H new ATOM 0 HB2 LYS A 63 -13.909 -4.976 -1.200 1.00 43.15 H new ATOM 0 HB3 LYS A 63 -15.564 -4.410 -1.302 1.00 43.15 H new ATOM 0 HG2 LYS A 63 -15.958 -5.851 -3.265 1.00 41.35 H new ATOM 0 HG3 LYS A 63 -14.290 -6.386 -3.228 1.00 41.35 H new ATOM 0 HD2 LYS A 63 -14.720 -7.166 -0.821 1.00 54.41 H new ATOM 0 HD3 LYS A 63 -16.420 -6.855 -1.111 1.00 54.41 H new ATOM 0 HE2 LYS A 63 -14.676 -8.746 -2.741 1.00 34.40 H new ATOM 0 HE3 LYS A 63 -15.810 -9.236 -1.499 1.00 34.40 H new ATOM 0 HZ1 LYS A 63 -16.790 -9.463 -3.670 1.00 74.20 H new ATOM 0 HZ2 LYS A 63 -17.609 -8.247 -2.814 1.00 74.20 H new ATOM 0 HZ3 LYS A 63 -16.499 -7.829 -4.029 1.00 74.20 H new ATOM 942 N LYS A 64 -16.099 -2.069 -2.951 1.00 65.12 N ATOM 943 CA LYS A 64 -17.187 -1.311 -3.561 1.00 62.34 C ATOM 944 C LYS A 64 -16.705 -0.586 -4.819 1.00 33.21 C ATOM 945 O LYS A 64 -17.455 -0.425 -5.780 1.00 3.11 O ATOM 946 CB LYS A 64 -17.731 -0.302 -2.546 1.00 25.40 C ATOM 947 CG LYS A 64 -18.804 0.628 -3.088 1.00 44.12 C ATOM 948 CD LYS A 64 -19.167 1.689 -2.062 1.00 43.21 C ATOM 949 CE LYS A 64 -20.242 2.637 -2.573 1.00 53.45 C ATOM 950 NZ LYS A 64 -21.528 1.936 -2.829 1.00 40.21 N ATOM 0 H LYS A 64 -15.865 -1.768 -2.005 1.00 65.12 H new ATOM 0 HA LYS A 64 -17.980 -2.001 -3.852 1.00 62.34 H new ATOM 0 HB2 LYS A 64 -18.138 -0.847 -1.695 1.00 25.40 H new ATOM 0 HB3 LYS A 64 -16.903 0.300 -2.172 1.00 25.40 H new ATOM 0 HG2 LYS A 64 -18.450 1.105 -4.002 1.00 44.12 H new ATOM 0 HG3 LYS A 64 -19.691 0.052 -3.352 1.00 44.12 H new ATOM 0 HD2 LYS A 64 -19.515 1.206 -1.149 1.00 43.21 H new ATOM 0 HD3 LYS A 64 -18.276 2.260 -1.801 1.00 43.21 H new ATOM 0 HE2 LYS A 64 -20.401 3.431 -1.844 1.00 53.45 H new ATOM 0 HE3 LYS A 64 -19.899 3.112 -3.492 1.00 53.45 H new ATOM 0 HZ1 LYS A 64 -22.271 2.636 -3.028 1.00 40.21 H new ATOM 0 HZ2 LYS A 64 -21.421 1.302 -3.647 1.00 40.21 H new ATOM 0 HZ3 LYS A 64 -21.792 1.379 -1.992 1.00 40.21 H new ATOM 964 N ALA A 65 -15.446 -0.165 -4.810 1.00 1.32 N ATOM 965 CA ALA A 65 -14.866 0.564 -5.935 1.00 1.23 C ATOM 966 C ALA A 65 -14.798 -0.306 -7.186 1.00 61.54 C ATOM 967 O ALA A 65 -14.878 0.202 -8.311 1.00 11.31 O ATOM 968 CB ALA A 65 -13.484 1.083 -5.573 1.00 61.54 C ATOM 0 H ALA A 65 -14.803 -0.316 -4.033 1.00 1.32 H new ATOM 0 HA ALA A 65 -15.515 1.412 -6.154 1.00 1.23 H new ATOM 0 HB1 ALA A 65 -13.065 1.624 -6.421 1.00 61.54 H new ATOM 0 HB2 ALA A 65 -13.560 1.753 -4.717 1.00 61.54 H new ATOM 0 HB3 ALA A 65 -12.835 0.244 -5.321 1.00 61.54 H new ATOM 974 N SER A 66 -14.653 -1.615 -6.992 1.00 24.33 N ATOM 975 CA SER A 66 -14.667 -2.559 -8.100 1.00 32.25 C ATOM 976 C SER A 66 -16.000 -2.476 -8.842 1.00 42.14 C ATOM 977 O SER A 66 -16.052 -2.567 -10.069 1.00 71.41 O ATOM 978 CB SER A 66 -14.435 -3.986 -7.588 1.00 34.11 C ATOM 979 OG SER A 66 -13.251 -4.065 -6.810 1.00 33.02 O ATOM 0 H SER A 66 -14.524 -2.044 -6.075 1.00 24.33 H new ATOM 0 HA SER A 66 -13.862 -2.302 -8.789 1.00 32.25 H new ATOM 0 HB2 SER A 66 -15.289 -4.304 -6.989 1.00 34.11 H new ATOM 0 HB3 SER A 66 -14.365 -4.671 -8.433 1.00 34.11 H new ATOM 0 HG SER A 66 -12.611 -4.663 -7.249 1.00 33.02 H new ATOM 985 N GLN A 67 -17.069 -2.279 -8.082 1.00 53.21 N ATOM 986 CA GLN A 67 -18.405 -2.150 -8.642 1.00 74.40 C ATOM 987 C GLN A 67 -18.660 -0.726 -9.120 1.00 73.20 C ATOM 988 O GLN A 67 -19.368 -0.511 -10.107 1.00 21.15 O ATOM 989 CB GLN A 67 -19.448 -2.557 -7.598 1.00 42.25 C ATOM 990 CG GLN A 67 -19.832 -4.032 -7.642 1.00 51.44 C ATOM 991 CD GLN A 67 -18.638 -4.969 -7.669 1.00 21.40 C ATOM 992 OE1 GLN A 67 -18.126 -5.378 -6.630 1.00 65.03 O ATOM 993 NE2 GLN A 67 -18.203 -5.331 -8.865 1.00 41.11 N ATOM 0 H GLN A 67 -17.034 -2.205 -7.065 1.00 53.21 H new ATOM 0 HA GLN A 67 -18.485 -2.813 -9.503 1.00 74.40 H new ATOM 0 HB2 GLN A 67 -19.063 -2.322 -6.605 1.00 42.25 H new ATOM 0 HB3 GLN A 67 -20.345 -1.955 -7.743 1.00 42.25 H new ATOM 0 HG2 GLN A 67 -20.447 -4.265 -6.773 1.00 51.44 H new ATOM 0 HG3 GLN A 67 -20.446 -4.213 -8.524 1.00 51.44 H new ATOM 0 HE21 GLN A 67 -18.656 -4.968 -9.704 1.00 41.11 H new ATOM 0 HE22 GLN A 67 -17.414 -5.973 -8.948 1.00 41.11 H new ATOM 1002 N LEU A 68 -18.073 0.243 -8.424 1.00 45.44 N ATOM 1003 CA LEU A 68 -18.234 1.652 -8.777 1.00 5.24 C ATOM 1004 C LEU A 68 -17.538 1.964 -10.103 1.00 0.45 C ATOM 1005 O LEU A 68 -17.936 2.878 -10.825 1.00 12.11 O ATOM 1006 CB LEU A 68 -17.668 2.542 -7.662 1.00 54.52 C ATOM 1007 CG LEU A 68 -17.803 4.050 -7.888 1.00 74.43 C ATOM 1008 CD1 LEU A 68 -19.269 4.452 -7.954 1.00 15.52 C ATOM 1009 CD2 LEU A 68 -17.089 4.820 -6.785 1.00 42.02 C ATOM 0 H LEU A 68 -17.480 0.079 -7.610 1.00 45.44 H new ATOM 0 HA LEU A 68 -19.298 1.857 -8.892 1.00 5.24 H new ATOM 0 HB2 LEU A 68 -18.168 2.286 -6.728 1.00 54.52 H new ATOM 0 HB3 LEU A 68 -16.612 2.305 -7.533 1.00 54.52 H new ATOM 0 HG LEU A 68 -17.335 4.298 -8.841 1.00 74.43 H new ATOM 0 HD11 LEU A 68 -19.344 5.527 -8.115 1.00 15.52 H new ATOM 0 HD12 LEU A 68 -19.754 3.927 -8.777 1.00 15.52 H new ATOM 0 HD13 LEU A 68 -19.761 4.190 -7.017 1.00 15.52 H new ATOM 0 HD21 LEU A 68 -17.195 5.890 -6.961 1.00 42.02 H new ATOM 0 HD22 LEU A 68 -17.529 4.566 -5.821 1.00 42.02 H new ATOM 0 HD23 LEU A 68 -16.032 4.556 -6.783 1.00 42.02 H new ATOM 1021 N GLY A 69 -16.514 1.184 -10.421 1.00 23.12 N ATOM 1022 CA GLY A 69 -15.827 1.345 -11.687 1.00 43.31 C ATOM 1023 C GLY A 69 -14.573 2.185 -11.578 1.00 44.15 C ATOM 1024 O GLY A 69 -14.155 2.811 -12.552 1.00 15.22 O ATOM 0 H GLY A 69 -16.147 0.442 -9.825 1.00 23.12 H new ATOM 0 HA2 GLY A 69 -15.566 0.362 -12.080 1.00 43.31 H new ATOM 0 HA3 GLY A 69 -16.505 1.806 -12.406 1.00 43.31 H new ATOM 1028 N VAL A 70 -13.966 2.197 -10.398 1.00 14.11 N ATOM 1029 CA VAL A 70 -12.739 2.950 -10.181 1.00 42.34 C ATOM 1030 C VAL A 70 -11.686 2.083 -9.499 1.00 24.32 C ATOM 1031 O VAL A 70 -11.985 1.339 -8.566 1.00 1.35 O ATOM 1032 CB VAL A 70 -12.978 4.231 -9.344 1.00 64.35 C ATOM 1033 CG1 VAL A 70 -13.809 5.237 -10.126 1.00 12.12 C ATOM 1034 CG2 VAL A 70 -13.649 3.907 -8.017 1.00 22.21 C ATOM 0 H VAL A 70 -14.304 1.694 -9.577 1.00 14.11 H new ATOM 0 HA VAL A 70 -12.379 3.253 -11.164 1.00 42.34 H new ATOM 0 HB VAL A 70 -12.005 4.673 -9.131 1.00 64.35 H new ATOM 0 HG11 VAL A 70 -13.965 6.129 -9.520 1.00 12.12 H new ATOM 0 HG12 VAL A 70 -13.285 5.508 -11.042 1.00 12.12 H new ATOM 0 HG13 VAL A 70 -14.773 4.795 -10.377 1.00 12.12 H new ATOM 0 HG21 VAL A 70 -13.803 4.827 -7.453 1.00 22.21 H new ATOM 0 HG22 VAL A 70 -14.611 3.430 -8.203 1.00 22.21 H new ATOM 0 HG23 VAL A 70 -13.014 3.232 -7.443 1.00 22.21 H new ATOM 1044 N LYS A 71 -10.464 2.155 -10.000 1.00 43.03 N ATOM 1045 CA LYS A 71 -9.353 1.424 -9.443 1.00 41.42 C ATOM 1046 C LYS A 71 -8.154 2.355 -9.287 1.00 4.31 C ATOM 1047 O LYS A 71 -7.943 3.231 -10.125 1.00 74.41 O ATOM 1048 CB LYS A 71 -9.014 0.276 -10.393 1.00 41.00 C ATOM 1049 CG LYS A 71 -7.654 -0.340 -10.153 1.00 50.12 C ATOM 1050 CD LYS A 71 -7.092 -0.955 -11.421 1.00 41.01 C ATOM 1051 CE LYS A 71 -7.064 0.041 -12.572 1.00 12.54 C ATOM 1052 NZ LYS A 71 -6.337 -0.489 -13.759 1.00 44.53 N ATOM 0 H LYS A 71 -10.220 2.727 -10.809 1.00 43.03 H new ATOM 0 HA LYS A 71 -9.610 1.027 -8.461 1.00 41.42 H new ATOM 0 HB2 LYS A 71 -9.775 -0.499 -10.296 1.00 41.00 H new ATOM 0 HB3 LYS A 71 -9.060 0.641 -11.419 1.00 41.00 H new ATOM 0 HG2 LYS A 71 -6.968 0.422 -9.782 1.00 50.12 H new ATOM 0 HG3 LYS A 71 -7.731 -1.104 -9.379 1.00 50.12 H new ATOM 0 HD2 LYS A 71 -6.082 -1.319 -11.231 1.00 41.01 H new ATOM 0 HD3 LYS A 71 -7.694 -1.819 -11.703 1.00 41.01 H new ATOM 0 HE2 LYS A 71 -8.086 0.293 -12.857 1.00 12.54 H new ATOM 0 HE3 LYS A 71 -6.589 0.964 -12.240 1.00 12.54 H new ATOM 0 HZ1 LYS A 71 -6.459 0.163 -14.560 1.00 44.53 H new ATOM 0 HZ2 LYS A 71 -5.325 -0.578 -13.535 1.00 44.53 H new ATOM 0 HZ3 LYS A 71 -6.719 -1.423 -14.011 1.00 44.53 H new ATOM 1066 N ILE A 72 -7.365 2.173 -8.235 1.00 41.40 N ATOM 1067 CA ILE A 72 -6.145 2.942 -8.096 1.00 62.54 C ATOM 1068 C ILE A 72 -4.967 2.029 -8.387 1.00 51.12 C ATOM 1069 O ILE A 72 -5.069 0.812 -8.245 1.00 3.24 O ATOM 1070 CB ILE A 72 -6.009 3.614 -6.700 1.00 22.23 C ATOM 1071 CG1 ILE A 72 -5.775 2.594 -5.584 1.00 35.32 C ATOM 1072 CG2 ILE A 72 -7.247 4.439 -6.393 1.00 73.20 C ATOM 1073 CD1 ILE A 72 -4.315 2.347 -5.274 1.00 31.43 C ATOM 0 H ILE A 72 -7.547 1.511 -7.481 1.00 41.40 H new ATOM 0 HA ILE A 72 -6.170 3.764 -8.812 1.00 62.54 H new ATOM 0 HB ILE A 72 -5.134 4.263 -6.740 1.00 22.23 H new ATOM 0 HG12 ILE A 72 -6.275 2.939 -4.679 1.00 35.32 H new ATOM 0 HG13 ILE A 72 -6.241 1.650 -5.865 1.00 35.32 H new ATOM 0 HG21 ILE A 72 -7.140 4.905 -5.413 1.00 73.20 H new ATOM 0 HG22 ILE A 72 -7.366 5.213 -7.151 1.00 73.20 H new ATOM 0 HG23 ILE A 72 -8.125 3.792 -6.394 1.00 73.20 H new ATOM 0 HD11 ILE A 72 -4.232 1.613 -4.473 1.00 31.43 H new ATOM 0 HD12 ILE A 72 -3.813 1.970 -6.165 1.00 31.43 H new ATOM 0 HD13 ILE A 72 -3.847 3.280 -4.961 1.00 31.43 H new ATOM 1085 N ARG A 73 -3.867 2.602 -8.823 1.00 54.21 N ATOM 1086 CA ARG A 73 -2.753 1.809 -9.308 1.00 23.52 C ATOM 1087 C ARG A 73 -1.878 1.335 -8.158 1.00 32.24 C ATOM 1088 O ARG A 73 -1.079 2.098 -7.611 1.00 74.12 O ATOM 1089 CB ARG A 73 -1.940 2.628 -10.305 1.00 20.34 C ATOM 1090 CG ARG A 73 -2.818 3.356 -11.310 1.00 53.41 C ATOM 1091 CD ARG A 73 -2.008 4.213 -12.263 1.00 25.32 C ATOM 1092 NE ARG A 73 -1.481 3.447 -13.388 1.00 53.00 N ATOM 1093 CZ ARG A 73 -0.913 4.003 -14.452 1.00 21.23 C ATOM 1094 NH1 ARG A 73 -0.763 5.322 -14.508 1.00 45.12 N ATOM 1095 NH2 ARG A 73 -0.497 3.239 -15.454 1.00 41.13 N ATOM 0 H ARG A 73 -3.718 3.611 -8.853 1.00 54.21 H new ATOM 0 HA ARG A 73 -3.144 0.923 -9.809 1.00 23.52 H new ATOM 0 HB2 ARG A 73 -1.332 3.354 -9.765 1.00 20.34 H new ATOM 0 HB3 ARG A 73 -1.253 1.970 -10.837 1.00 20.34 H new ATOM 0 HG2 ARG A 73 -3.395 2.628 -11.880 1.00 53.41 H new ATOM 0 HG3 ARG A 73 -3.533 3.984 -10.778 1.00 53.41 H new ATOM 0 HD2 ARG A 73 -2.633 5.023 -12.639 1.00 25.32 H new ATOM 0 HD3 ARG A 73 -1.182 4.673 -11.721 1.00 25.32 H new ATOM 0 HE ARG A 73 -1.553 2.430 -13.355 1.00 53.00 H new ATOM 0 HH11 ARG A 73 -1.084 5.905 -13.735 1.00 45.12 H new ATOM 0 HH12 ARG A 73 -0.327 5.752 -15.324 1.00 45.12 H new ATOM 0 HH21 ARG A 73 -0.614 2.227 -15.406 1.00 41.13 H new ATOM 0 HH22 ARG A 73 -0.061 3.664 -16.272 1.00 41.13 H new ATOM 1109 N ILE A 74 -2.048 0.073 -7.789 1.00 33.21 N ATOM 1110 CA ILE A 74 -1.257 -0.531 -6.731 1.00 25.12 C ATOM 1111 C ILE A 74 0.199 -0.644 -7.179 1.00 22.30 C ATOM 1112 O ILE A 74 0.477 -1.069 -8.306 1.00 54.55 O ATOM 1113 CB ILE A 74 -1.808 -1.929 -6.339 1.00 55.42 C ATOM 1114 CG1 ILE A 74 -1.612 -2.942 -7.476 1.00 3.02 C ATOM 1115 CG2 ILE A 74 -3.285 -1.823 -5.991 1.00 62.13 C ATOM 1116 CD1 ILE A 74 -2.104 -4.338 -7.150 1.00 31.11 C ATOM 0 H ILE A 74 -2.732 -0.555 -8.211 1.00 33.21 H new ATOM 0 HA ILE A 74 -1.319 0.108 -5.850 1.00 25.12 H new ATOM 0 HB ILE A 74 -1.252 -2.282 -5.470 1.00 55.42 H new ATOM 0 HG12 ILE A 74 -2.133 -2.582 -8.363 1.00 3.02 H new ATOM 0 HG13 ILE A 74 -0.552 -2.991 -7.727 1.00 3.02 H new ATOM 0 HG21 ILE A 74 -3.666 -2.807 -5.717 1.00 62.13 H new ATOM 0 HG22 ILE A 74 -3.413 -1.138 -5.153 1.00 62.13 H new ATOM 0 HG23 ILE A 74 -3.836 -1.448 -6.854 1.00 62.13 H new ATOM 0 HD11 ILE A 74 -1.930 -4.994 -8.003 1.00 31.11 H new ATOM 0 HD12 ILE A 74 -1.566 -4.720 -6.283 1.00 31.11 H new ATOM 0 HD13 ILE A 74 -3.171 -4.305 -6.929 1.00 31.11 H new ATOM 1128 N LEU A 75 1.115 -0.212 -6.313 1.00 52.30 N ATOM 1129 CA LEU A 75 2.546 -0.179 -6.638 1.00 73.53 C ATOM 1130 C LEU A 75 2.792 0.713 -7.856 1.00 22.45 C ATOM 1131 O LEU A 75 3.822 0.605 -8.523 1.00 21.30 O ATOM 1132 CB LEU A 75 3.101 -1.592 -6.893 1.00 11.23 C ATOM 1133 CG LEU A 75 3.359 -2.450 -5.645 1.00 53.43 C ATOM 1134 CD1 LEU A 75 2.057 -2.819 -4.946 1.00 0.25 C ATOM 1135 CD2 LEU A 75 4.141 -3.702 -6.020 1.00 50.01 C ATOM 0 H LEU A 75 0.893 0.122 -5.375 1.00 52.30 H new ATOM 0 HA LEU A 75 3.072 0.236 -5.778 1.00 73.53 H new ATOM 0 HB2 LEU A 75 2.402 -2.125 -7.537 1.00 11.23 H new ATOM 0 HB3 LEU A 75 4.036 -1.499 -7.445 1.00 11.23 H new ATOM 0 HG LEU A 75 3.953 -1.861 -4.946 1.00 53.43 H new ATOM 0 HD11 LEU A 75 2.275 -3.426 -4.067 1.00 0.25 H new ATOM 0 HD12 LEU A 75 1.538 -1.911 -4.640 1.00 0.25 H new ATOM 0 HD13 LEU A 75 1.425 -3.385 -5.630 1.00 0.25 H new ATOM 0 HD21 LEU A 75 4.318 -4.302 -5.127 1.00 50.01 H new ATOM 0 HD22 LEU A 75 3.569 -4.285 -6.742 1.00 50.01 H new ATOM 0 HD23 LEU A 75 5.096 -3.416 -6.460 1.00 50.01 H new ATOM 1147 N HIS A 76 1.840 1.613 -8.110 1.00 53.02 N ATOM 1148 CA HIS A 76 1.866 2.493 -9.274 1.00 23.21 C ATOM 1149 C HIS A 76 1.948 1.703 -10.573 1.00 4.31 C ATOM 1150 O HIS A 76 2.746 2.026 -11.456 1.00 24.02 O ATOM 1151 CB HIS A 76 3.009 3.504 -9.174 1.00 35.23 C ATOM 1152 CG HIS A 76 2.626 4.744 -8.432 1.00 75.14 C ATOM 1153 ND1 HIS A 76 2.348 4.757 -7.085 1.00 43.31 N ATOM 1154 CD2 HIS A 76 2.448 6.016 -8.860 1.00 23.41 C ATOM 1155 CE1 HIS A 76 2.018 5.975 -6.716 1.00 2.02 C ATOM 1156 NE2 HIS A 76 2.070 6.760 -7.771 1.00 55.12 N ATOM 0 H HIS A 76 1.027 1.750 -7.510 1.00 53.02 H new ATOM 0 HA HIS A 76 0.926 3.045 -9.286 1.00 23.21 H new ATOM 0 HB2 HIS A 76 3.858 3.036 -8.676 1.00 35.23 H new ATOM 0 HB3 HIS A 76 3.337 3.774 -10.178 1.00 35.23 H new ATOM 0 HD2 HIS A 76 2.579 6.377 -9.869 1.00 23.41 H new ATOM 0 HE1 HIS A 76 1.749 6.280 -5.715 1.00 2.02 H new ATOM 0 HE2 HIS A 76 1.863 7.759 -7.778 1.00 55.12 H new ATOM 1165 N ASP A 77 1.104 0.671 -10.666 1.00 61.33 N ATOM 1166 CA ASP A 77 0.941 -0.126 -11.885 1.00 12.20 C ATOM 1167 C ASP A 77 2.179 -0.981 -12.131 1.00 53.15 C ATOM 1168 O ASP A 77 3.125 -0.552 -12.794 1.00 34.15 O ATOM 1169 CB ASP A 77 0.671 0.779 -13.093 1.00 20.02 C ATOM 1170 CG ASP A 77 -0.301 0.177 -14.085 1.00 61.52 C ATOM 1171 OD1 ASP A 77 0.076 -0.768 -14.811 1.00 31.33 O ATOM 1172 OD2 ASP A 77 -1.451 0.661 -14.149 1.00 34.23 O ATOM 0 H ASP A 77 0.512 0.364 -9.894 1.00 61.33 H new ATOM 0 HA ASP A 77 0.083 -0.784 -11.750 1.00 12.20 H new ATOM 0 HB2 ASP A 77 0.278 1.733 -12.743 1.00 20.02 H new ATOM 0 HB3 ASP A 77 1.613 0.989 -13.599 1.00 20.02 H new ATOM 1177 N TYR A 78 2.173 -2.190 -11.589 1.00 51.53 N ATOM 1178 CA TYR A 78 3.354 -3.038 -11.637 1.00 22.43 C ATOM 1179 C TYR A 78 2.996 -4.444 -12.114 1.00 11.42 C ATOM 1180 O TYR A 78 1.836 -4.850 -12.071 1.00 31.32 O ATOM 1181 CB TYR A 78 4.009 -3.092 -10.251 1.00 12.54 C ATOM 1182 CG TYR A 78 5.497 -3.365 -10.281 1.00 1.00 C ATOM 1183 CD1 TYR A 78 6.392 -2.365 -10.640 1.00 2.04 C ATOM 1184 CD2 TYR A 78 6.008 -4.613 -9.950 1.00 42.44 C ATOM 1185 CE1 TYR A 78 7.753 -2.599 -10.669 1.00 13.31 C ATOM 1186 CE2 TYR A 78 7.370 -4.856 -9.974 1.00 33.04 C ATOM 1187 CZ TYR A 78 8.238 -3.845 -10.335 1.00 74.34 C ATOM 1188 OH TYR A 78 9.596 -4.082 -10.362 1.00 30.31 O ATOM 0 H TYR A 78 1.370 -2.603 -11.115 1.00 51.53 H new ATOM 0 HA TYR A 78 4.061 -2.612 -12.349 1.00 22.43 H new ATOM 0 HB2 TYR A 78 3.835 -2.144 -9.741 1.00 12.54 H new ATOM 0 HB3 TYR A 78 3.520 -3.866 -9.660 1.00 12.54 H new ATOM 0 HD1 TYR A 78 6.017 -1.387 -10.901 1.00 2.04 H new ATOM 0 HD2 TYR A 78 5.332 -5.407 -9.669 1.00 42.44 H new ATOM 0 HE1 TYR A 78 8.434 -1.810 -10.952 1.00 13.31 H new ATOM 0 HE2 TYR A 78 7.752 -5.832 -9.712 1.00 33.04 H new ATOM 0 HH TYR A 78 9.771 -5.010 -10.099 1.00 30.31 H new ATOM 1198 N ALA A 79 4.015 -5.182 -12.551 1.00 2.53 N ATOM 1199 CA ALA A 79 3.849 -6.531 -13.097 1.00 13.44 C ATOM 1200 C ALA A 79 3.437 -7.544 -12.030 1.00 60.45 C ATOM 1201 O ALA A 79 3.065 -8.674 -12.350 1.00 21.20 O ATOM 1202 CB ALA A 79 5.134 -6.983 -13.773 1.00 52.40 C ATOM 0 H ALA A 79 4.983 -4.861 -12.537 1.00 2.53 H new ATOM 0 HA ALA A 79 3.043 -6.485 -13.830 1.00 13.44 H new ATOM 0 HB1 ALA A 79 5.000 -7.987 -14.175 1.00 52.40 H new ATOM 0 HB2 ALA A 79 5.379 -6.297 -14.584 1.00 52.40 H new ATOM 0 HB3 ALA A 79 5.945 -6.989 -13.045 1.00 52.40 H new ATOM 1208 N GLY A 80 3.528 -7.136 -10.766 1.00 61.10 N ATOM 1209 CA GLY A 80 3.241 -8.024 -9.644 1.00 1.43 C ATOM 1210 C GLY A 80 1.895 -8.728 -9.738 1.00 14.41 C ATOM 1211 O GLY A 80 1.705 -9.783 -9.128 1.00 11.20 O ATOM 0 H GLY A 80 3.800 -6.191 -10.493 1.00 61.10 H new ATOM 0 HA2 GLY A 80 4.028 -8.775 -9.578 1.00 1.43 H new ATOM 0 HA3 GLY A 80 3.273 -7.447 -8.720 1.00 1.43 H new ATOM 1215 N ILE A 81 0.973 -8.164 -10.516 1.00 24.21 N ATOM 1216 CA ILE A 81 -0.361 -8.737 -10.682 1.00 24.40 C ATOM 1217 C ILE A 81 -0.303 -10.172 -11.221 1.00 23.21 C ATOM 1218 O ILE A 81 -1.212 -10.966 -10.987 1.00 61.01 O ATOM 1219 CB ILE A 81 -1.243 -7.856 -11.608 1.00 53.53 C ATOM 1220 CG1 ILE A 81 -0.566 -7.588 -12.963 1.00 73.45 C ATOM 1221 CG2 ILE A 81 -1.580 -6.539 -10.922 1.00 75.34 C ATOM 1222 CD1 ILE A 81 -0.840 -8.645 -14.016 1.00 13.15 C ATOM 0 H ILE A 81 1.127 -7.305 -11.044 1.00 24.21 H new ATOM 0 HA ILE A 81 -0.815 -8.765 -9.692 1.00 24.40 H new ATOM 0 HB ILE A 81 -2.163 -8.408 -11.802 1.00 53.53 H new ATOM 0 HG12 ILE A 81 -0.901 -6.621 -13.339 1.00 73.45 H new ATOM 0 HG13 ILE A 81 0.511 -7.514 -12.810 1.00 73.45 H new ATOM 0 HG21 ILE A 81 -2.199 -5.932 -11.583 1.00 75.34 H new ATOM 0 HG22 ILE A 81 -2.123 -6.738 -9.998 1.00 75.34 H new ATOM 0 HG23 ILE A 81 -0.659 -6.002 -10.693 1.00 75.34 H new ATOM 0 HD11 ILE A 81 -0.326 -8.380 -14.940 1.00 13.15 H new ATOM 0 HD12 ILE A 81 -0.479 -9.611 -13.664 1.00 13.15 H new ATOM 0 HD13 ILE A 81 -1.912 -8.704 -14.201 1.00 13.15 H new ATOM 1234 N ALA A 82 0.776 -10.501 -11.924 1.00 64.24 N ATOM 1235 CA ALA A 82 0.936 -11.829 -12.503 1.00 55.24 C ATOM 1236 C ALA A 82 1.338 -12.850 -11.442 1.00 41.41 C ATOM 1237 O ALA A 82 1.061 -14.046 -11.576 1.00 64.33 O ATOM 1238 CB ALA A 82 1.963 -11.794 -13.623 1.00 75.24 C ATOM 0 H ALA A 82 1.553 -9.865 -12.106 1.00 64.24 H new ATOM 0 HA ALA A 82 -0.025 -12.136 -12.915 1.00 55.24 H new ATOM 0 HB1 ALA A 82 2.073 -12.792 -14.047 1.00 75.24 H new ATOM 0 HB2 ALA A 82 1.631 -11.105 -14.399 1.00 75.24 H new ATOM 0 HB3 ALA A 82 2.922 -11.460 -13.227 1.00 75.24 H new ATOM 1244 N PHE A 83 1.975 -12.375 -10.380 1.00 13.14 N ATOM 1245 CA PHE A 83 2.467 -13.251 -9.328 1.00 73.23 C ATOM 1246 C PHE A 83 1.331 -13.687 -8.414 1.00 42.04 C ATOM 1247 O PHE A 83 1.246 -14.852 -8.030 1.00 12.00 O ATOM 1248 CB PHE A 83 3.561 -12.558 -8.518 1.00 52.33 C ATOM 1249 CG PHE A 83 4.786 -12.227 -9.327 1.00 25.03 C ATOM 1250 CD1 PHE A 83 5.745 -13.194 -9.582 1.00 22.42 C ATOM 1251 CD2 PHE A 83 4.978 -10.951 -9.832 1.00 12.05 C ATOM 1252 CE1 PHE A 83 6.871 -12.894 -10.326 1.00 72.01 C ATOM 1253 CE2 PHE A 83 6.103 -10.645 -10.576 1.00 34.42 C ATOM 1254 CZ PHE A 83 7.050 -11.619 -10.822 1.00 31.22 C ATOM 0 H PHE A 83 2.163 -11.385 -10.225 1.00 13.14 H new ATOM 0 HA PHE A 83 2.892 -14.138 -9.798 1.00 73.23 H new ATOM 0 HB2 PHE A 83 3.159 -11.640 -8.089 1.00 52.33 H new ATOM 0 HB3 PHE A 83 3.848 -13.200 -7.685 1.00 52.33 H new ATOM 0 HD1 PHE A 83 5.611 -14.193 -9.195 1.00 22.42 H new ATOM 0 HD2 PHE A 83 4.240 -10.186 -9.642 1.00 12.05 H new ATOM 0 HE1 PHE A 83 7.610 -13.657 -10.519 1.00 72.01 H new ATOM 0 HE2 PHE A 83 6.240 -9.646 -10.964 1.00 34.42 H new ATOM 0 HZ PHE A 83 7.930 -11.383 -11.402 1.00 31.22 H new ATOM 1264 N TRP A 84 0.458 -12.753 -8.068 1.00 14.52 N ATOM 1265 CA TRP A 84 -0.699 -13.073 -7.240 1.00 31.40 C ATOM 1266 C TRP A 84 -1.750 -13.837 -8.045 1.00 74.03 C ATOM 1267 O TRP A 84 -2.560 -14.576 -7.482 1.00 32.34 O ATOM 1268 CB TRP A 84 -1.302 -11.804 -6.636 1.00 43.01 C ATOM 1269 CG TRP A 84 -0.415 -11.155 -5.615 1.00 43.34 C ATOM 1270 CD1 TRP A 84 -0.005 -11.694 -4.428 1.00 40.43 C ATOM 1271 CD2 TRP A 84 0.159 -9.845 -5.680 1.00 43.40 C ATOM 1272 NE1 TRP A 84 0.798 -10.803 -3.758 1.00 20.31 N ATOM 1273 CE2 TRP A 84 0.913 -9.661 -4.504 1.00 20.35 C ATOM 1274 CE3 TRP A 84 0.114 -8.811 -6.618 1.00 55.11 C ATOM 1275 CZ2 TRP A 84 1.613 -8.486 -4.244 1.00 24.11 C ATOM 1276 CZ3 TRP A 84 0.809 -7.644 -6.358 1.00 40.52 C ATOM 1277 CH2 TRP A 84 1.551 -7.491 -5.180 1.00 75.13 C ATOM 0 H TRP A 84 0.526 -11.774 -8.344 1.00 14.52 H new ATOM 0 HA TRP A 84 -0.363 -13.713 -6.425 1.00 31.40 H new ATOM 0 HB2 TRP A 84 -1.507 -11.091 -7.435 1.00 43.01 H new ATOM 0 HB3 TRP A 84 -2.258 -12.049 -6.174 1.00 43.01 H new ATOM 0 HD1 TRP A 84 -0.273 -12.677 -4.069 1.00 40.43 H new ATOM 0 HE1 TRP A 84 1.237 -10.966 -2.852 1.00 20.31 H new ATOM 0 HE3 TRP A 84 -0.454 -8.921 -7.530 1.00 55.11 H new ATOM 0 HZ2 TRP A 84 2.184 -8.365 -3.336 1.00 24.11 H new ATOM 0 HZ3 TRP A 84 0.779 -6.837 -7.075 1.00 40.52 H new ATOM 0 HH2 TRP A 84 2.085 -6.568 -5.007 1.00 75.13 H new ATOM 1288 N ALA A 85 -1.728 -13.657 -9.361 1.00 24.05 N ATOM 1289 CA ALA A 85 -2.621 -14.389 -10.253 1.00 4.20 C ATOM 1290 C ALA A 85 -2.232 -15.863 -10.311 1.00 63.32 C ATOM 1291 O ALA A 85 -3.050 -16.743 -10.049 1.00 54.32 O ATOM 1292 CB ALA A 85 -2.594 -13.779 -11.646 1.00 72.21 C ATOM 0 H ALA A 85 -1.100 -13.008 -9.835 1.00 24.05 H new ATOM 0 HA ALA A 85 -3.635 -14.316 -9.860 1.00 4.20 H new ATOM 0 HB1 ALA A 85 -3.265 -14.336 -12.300 1.00 72.21 H new ATOM 0 HB2 ALA A 85 -2.918 -12.739 -11.594 1.00 72.21 H new ATOM 0 HB3 ALA A 85 -1.580 -13.824 -12.043 1.00 72.21 H new ATOM 1298 N THR A 86 -0.977 -16.123 -10.651 1.00 5.54 N ATOM 1299 CA THR A 86 -0.473 -17.485 -10.731 1.00 74.42 C ATOM 1300 C THR A 86 0.930 -17.581 -10.129 1.00 34.21 C ATOM 1301 O THR A 86 1.206 -18.467 -9.315 1.00 15.42 O ATOM 1302 CB THR A 86 -0.477 -18.011 -12.189 1.00 55.12 C ATOM 1303 OG1 THR A 86 0.223 -19.260 -12.270 1.00 3.30 O ATOM 1304 CG2 THR A 86 0.143 -17.002 -13.149 1.00 33.42 C ATOM 0 H THR A 86 -0.288 -15.405 -10.876 1.00 5.54 H new ATOM 0 HA THR A 86 -1.144 -18.117 -10.149 1.00 74.42 H new ATOM 0 HB THR A 86 -1.516 -18.162 -12.483 1.00 55.12 H new ATOM 0 HG1 THR A 86 0.841 -19.240 -13.030 1.00 3.30 H new ATOM 0 HG21 THR A 86 0.123 -17.404 -14.162 1.00 33.42 H new ATOM 0 HG22 THR A 86 -0.425 -16.072 -13.117 1.00 33.42 H new ATOM 0 HG23 THR A 86 1.175 -16.807 -12.856 1.00 33.42 H new ATOM 1312 N GLY A 87 1.813 -16.669 -10.527 1.00 4.02 N ATOM 1313 CA GLY A 87 3.137 -16.603 -9.942 1.00 13.55 C ATOM 1314 C GLY A 87 4.127 -17.529 -10.614 1.00 22.12 C ATOM 1315 O GLY A 87 5.108 -17.071 -11.199 1.00 61.35 O ATOM 0 H GLY A 87 1.631 -15.972 -11.249 1.00 4.02 H new ATOM 0 HA2 GLY A 87 3.505 -15.579 -10.005 1.00 13.55 H new ATOM 0 HA3 GLY A 87 3.073 -16.855 -8.883 1.00 13.55 H new ATOM 1319 N GLU A 88 3.848 -18.825 -10.560 1.00 42.43 N ATOM 1320 CA GLU A 88 4.792 -19.839 -11.025 1.00 23.02 C ATOM 1321 C GLU A 88 5.009 -19.735 -12.526 1.00 53.23 C ATOM 1322 O GLU A 88 6.126 -19.519 -12.994 1.00 3.10 O ATOM 1323 CB GLU A 88 4.287 -21.240 -10.679 1.00 31.05 C ATOM 1324 CG GLU A 88 3.924 -21.418 -9.218 1.00 20.42 C ATOM 1325 CD GLU A 88 3.577 -22.851 -8.884 1.00 11.12 C ATOM 1326 OE1 GLU A 88 2.694 -23.427 -9.554 1.00 31.04 O ATOM 1327 OE2 GLU A 88 4.183 -23.405 -7.945 1.00 22.24 O ATOM 0 H GLU A 88 2.972 -19.202 -10.198 1.00 42.43 H new ATOM 0 HA GLU A 88 5.742 -19.663 -10.520 1.00 23.02 H new ATOM 0 HB2 GLU A 88 3.412 -21.462 -11.290 1.00 31.05 H new ATOM 0 HB3 GLU A 88 5.054 -21.968 -10.944 1.00 31.05 H new ATOM 0 HG2 GLU A 88 4.759 -21.094 -8.596 1.00 20.42 H new ATOM 0 HG3 GLU A 88 3.078 -20.775 -8.975 1.00 20.42 H new ATOM 1334 N TRP A 89 3.933 -19.887 -13.273 1.00 55.22 N ATOM 1335 CA TRP A 89 3.984 -19.801 -14.716 1.00 20.33 C ATOM 1336 C TRP A 89 2.641 -19.321 -15.238 1.00 30.15 C ATOM 1337 O TRP A 89 1.634 -19.413 -14.538 1.00 72.44 O ATOM 1338 CB TRP A 89 4.357 -21.158 -15.323 1.00 73.34 C ATOM 1339 CG TRP A 89 4.449 -21.133 -16.819 1.00 40.31 C ATOM 1340 CD1 TRP A 89 3.623 -21.770 -17.695 1.00 2.22 C ATOM 1341 CD2 TRP A 89 5.404 -20.419 -17.615 1.00 41.45 C ATOM 1342 NE1 TRP A 89 4.002 -21.499 -18.986 1.00 54.51 N ATOM 1343 CE2 TRP A 89 5.095 -20.676 -18.964 1.00 60.13 C ATOM 1344 CE3 TRP A 89 6.488 -19.592 -17.316 1.00 72.33 C ATOM 1345 CZ2 TRP A 89 5.830 -20.132 -20.011 1.00 52.34 C ATOM 1346 CZ3 TRP A 89 7.219 -19.054 -18.358 1.00 21.11 C ATOM 1347 CH2 TRP A 89 6.887 -19.325 -19.689 1.00 12.12 C ATOM 0 H TRP A 89 3.003 -20.073 -12.897 1.00 55.22 H new ATOM 0 HA TRP A 89 4.753 -19.086 -15.009 1.00 20.33 H new ATOM 0 HB2 TRP A 89 5.314 -21.481 -14.912 1.00 73.34 H new ATOM 0 HB3 TRP A 89 3.615 -21.898 -15.024 1.00 73.34 H new ATOM 0 HD1 TRP A 89 2.790 -22.398 -17.414 1.00 2.22 H new ATOM 0 HE1 TRP A 89 3.543 -21.853 -19.825 1.00 54.51 H new ATOM 0 HE3 TRP A 89 6.750 -19.377 -16.291 1.00 72.33 H new ATOM 0 HZ2 TRP A 89 5.576 -20.339 -21.040 1.00 52.34 H new ATOM 0 HZ3 TRP A 89 8.061 -18.413 -18.141 1.00 21.11 H new ATOM 0 HH2 TRP A 89 7.478 -18.888 -20.480 1.00 12.12 H new ATOM 1358 N LYS A 90 2.636 -18.798 -16.453 1.00 14.00 N ATOM 1359 CA LYS A 90 1.421 -18.292 -17.069 1.00 72.22 C ATOM 1360 C LYS A 90 0.389 -19.403 -17.239 1.00 24.05 C ATOM 1361 O LYS A 90 0.709 -20.589 -17.142 1.00 55.31 O ATOM 1362 CB LYS A 90 1.747 -17.641 -18.418 1.00 65.04 C ATOM 1363 CG LYS A 90 1.825 -16.119 -18.364 1.00 21.14 C ATOM 1364 CD LYS A 90 2.779 -15.615 -17.286 1.00 1.20 C ATOM 1365 CE LYS A 90 4.230 -15.945 -17.602 1.00 24.23 C ATOM 1366 NZ LYS A 90 5.155 -15.365 -16.592 1.00 40.04 N ATOM 0 H LYS A 90 3.468 -18.713 -17.037 1.00 14.00 H new ATOM 0 HA LYS A 90 0.990 -17.537 -16.412 1.00 72.22 H new ATOM 0 HB2 LYS A 90 2.698 -18.032 -18.779 1.00 65.04 H new ATOM 0 HB3 LYS A 90 0.987 -17.931 -19.144 1.00 65.04 H new ATOM 0 HG2 LYS A 90 2.148 -15.741 -19.334 1.00 21.14 H new ATOM 0 HG3 LYS A 90 0.830 -15.715 -18.180 1.00 21.14 H new ATOM 0 HD2 LYS A 90 2.668 -14.536 -17.181 1.00 1.20 H new ATOM 0 HD3 LYS A 90 2.508 -16.058 -16.328 1.00 1.20 H new ATOM 0 HE2 LYS A 90 4.359 -17.027 -17.636 1.00 24.23 H new ATOM 0 HE3 LYS A 90 4.484 -15.563 -18.591 1.00 24.23 H new ATOM 0 HZ1 LYS A 90 6.135 -15.609 -16.838 1.00 40.04 H new ATOM 0 HZ2 LYS A 90 5.049 -14.330 -16.578 1.00 40.04 H new ATOM 0 HZ3 LYS A 90 4.928 -15.749 -15.652 1.00 40.04 H new ATOM 1380 N ALA A 91 -0.849 -19.011 -17.482 1.00 31.14 N ATOM 1381 CA ALA A 91 -1.941 -19.960 -17.604 1.00 51.23 C ATOM 1382 C ALA A 91 -1.809 -20.765 -18.889 1.00 33.14 C ATOM 1383 O ALA A 91 -1.925 -20.222 -19.989 1.00 62.40 O ATOM 1384 CB ALA A 91 -3.265 -19.229 -17.556 1.00 44.10 C ATOM 0 H ALA A 91 -1.124 -18.036 -17.599 1.00 31.14 H new ATOM 0 HA ALA A 91 -1.900 -20.658 -16.768 1.00 51.23 H new ATOM 0 HB1 ALA A 91 -4.080 -19.947 -17.648 1.00 44.10 H new ATOM 0 HB2 ALA A 91 -3.354 -18.699 -16.608 1.00 44.10 H new ATOM 0 HB3 ALA A 91 -3.316 -18.514 -18.378 1.00 44.10 H new ATOM 1390 N LYS A 92 -1.567 -22.060 -18.737 1.00 72.25 N ATOM 1391 CA LYS A 92 -1.317 -22.937 -19.870 1.00 35.03 C ATOM 1392 C LYS A 92 -2.621 -23.326 -20.578 1.00 73.53 C ATOM 1393 O LYS A 92 -3.067 -24.474 -20.510 1.00 42.22 O ATOM 1394 CB LYS A 92 -0.539 -24.174 -19.400 1.00 44.32 C ATOM 1395 CG LYS A 92 -0.107 -25.110 -20.519 1.00 71.33 C ATOM 1396 CD LYS A 92 0.843 -26.189 -20.015 1.00 70.40 C ATOM 1397 CE LYS A 92 0.273 -26.930 -18.814 1.00 52.43 C ATOM 1398 NZ LYS A 92 1.116 -28.090 -18.421 1.00 72.20 N ATOM 0 H LYS A 92 -1.539 -22.528 -17.831 1.00 72.25 H new ATOM 0 HA LYS A 92 -0.712 -22.401 -20.602 1.00 35.03 H new ATOM 0 HB2 LYS A 92 0.347 -23.846 -18.856 1.00 44.32 H new ATOM 0 HB3 LYS A 92 -1.157 -24.731 -18.696 1.00 44.32 H new ATOM 0 HG2 LYS A 92 -0.986 -25.577 -20.962 1.00 71.33 H new ATOM 0 HG3 LYS A 92 0.380 -24.535 -21.307 1.00 71.33 H new ATOM 0 HD2 LYS A 92 1.045 -26.899 -20.817 1.00 70.40 H new ATOM 0 HD3 LYS A 92 1.796 -25.736 -19.743 1.00 70.40 H new ATOM 0 HE2 LYS A 92 0.187 -26.243 -17.972 1.00 52.43 H new ATOM 0 HE3 LYS A 92 -0.734 -27.276 -19.047 1.00 52.43 H new ATOM 0 HZ1 LYS A 92 0.691 -28.566 -17.600 1.00 72.20 H new ATOM 0 HZ2 LYS A 92 1.178 -28.759 -19.215 1.00 72.20 H new ATOM 0 HZ3 LYS A 92 2.070 -27.758 -18.173 1.00 72.20 H new ATOM 1412 N ASN A 93 -3.251 -22.327 -21.198 1.00 34.43 N ATOM 1413 CA ASN A 93 -4.382 -22.516 -22.126 1.00 44.20 C ATOM 1414 C ASN A 93 -5.687 -22.975 -21.461 1.00 24.01 C ATOM 1415 O ASN A 93 -6.764 -22.747 -22.013 1.00 42.12 O ATOM 1416 CB ASN A 93 -4.008 -23.490 -23.250 1.00 21.10 C ATOM 1417 CG ASN A 93 -3.026 -22.887 -24.238 1.00 31.21 C ATOM 1418 OD1 ASN A 93 -3.009 -21.676 -24.455 1.00 14.23 O ATOM 1419 ND2 ASN A 93 -2.197 -23.722 -24.839 1.00 64.23 N ATOM 0 H ASN A 93 -2.991 -21.349 -21.072 1.00 34.43 H new ATOM 0 HA ASN A 93 -4.579 -21.524 -22.532 1.00 44.20 H new ATOM 0 HB2 ASN A 93 -3.575 -24.391 -22.816 1.00 21.10 H new ATOM 0 HB3 ASN A 93 -4.911 -23.793 -23.779 1.00 21.10 H new ATOM 0 HD21 ASN A 93 -1.513 -23.368 -25.508 1.00 64.23 H new ATOM 0 HD22 ASN A 93 -2.241 -24.720 -24.634 1.00 64.23 H new ATOM 1426 N GLU A 94 -5.605 -23.618 -20.306 1.00 2.01 N ATOM 1427 CA GLU A 94 -6.795 -24.157 -19.647 1.00 42.30 C ATOM 1428 C GLU A 94 -7.585 -23.046 -18.940 1.00 31.03 C ATOM 1429 O GLU A 94 -7.242 -21.865 -19.045 1.00 73.22 O ATOM 1430 CB GLU A 94 -6.390 -25.248 -18.645 1.00 75.33 C ATOM 1431 CG GLU A 94 -7.518 -26.212 -18.298 1.00 71.45 C ATOM 1432 CD GLU A 94 -7.190 -27.095 -17.115 1.00 3.21 C ATOM 1433 OE1 GLU A 94 -6.476 -28.102 -17.299 1.00 62.42 O ATOM 1434 OE2 GLU A 94 -7.636 -26.778 -15.994 1.00 53.30 O ATOM 0 H GLU A 94 -4.732 -23.781 -19.804 1.00 2.01 H new ATOM 0 HA GLU A 94 -7.441 -24.595 -20.408 1.00 42.30 H new ATOM 0 HB2 GLU A 94 -5.554 -25.814 -19.056 1.00 75.33 H new ATOM 0 HB3 GLU A 94 -6.035 -24.774 -17.730 1.00 75.33 H new ATOM 0 HG2 GLU A 94 -8.422 -25.643 -18.082 1.00 71.45 H new ATOM 0 HG3 GLU A 94 -7.735 -26.838 -19.164 1.00 71.45 H new ATOM 1441 N PHE A 95 -8.623 -23.447 -18.203 1.00 3.11 N ATOM 1442 CA PHE A 95 -9.522 -22.530 -17.495 1.00 32.14 C ATOM 1443 C PHE A 95 -8.749 -21.561 -16.603 1.00 53.24 C ATOM 1444 O PHE A 95 -9.202 -20.445 -16.353 1.00 42.10 O ATOM 1445 CB PHE A 95 -10.515 -23.339 -16.655 1.00 43.45 C ATOM 1446 CG PHE A 95 -11.606 -22.515 -16.032 1.00 20.32 C ATOM 1447 CD1 PHE A 95 -12.738 -22.181 -16.757 1.00 24.54 C ATOM 1448 CD2 PHE A 95 -11.501 -22.076 -14.721 1.00 24.05 C ATOM 1449 CE1 PHE A 95 -13.743 -21.424 -16.188 1.00 60.11 C ATOM 1450 CE2 PHE A 95 -12.503 -21.316 -14.148 1.00 40.04 C ATOM 1451 CZ PHE A 95 -13.626 -20.990 -14.883 1.00 14.23 C ATOM 0 H PHE A 95 -8.867 -24.430 -18.079 1.00 3.11 H new ATOM 0 HA PHE A 95 -10.059 -21.938 -18.236 1.00 32.14 H new ATOM 0 HB2 PHE A 95 -10.968 -24.105 -17.285 1.00 43.45 H new ATOM 0 HB3 PHE A 95 -9.970 -23.857 -15.866 1.00 43.45 H new ATOM 0 HD1 PHE A 95 -12.836 -22.516 -17.779 1.00 24.54 H new ATOM 0 HD2 PHE A 95 -10.626 -22.331 -14.141 1.00 24.05 H new ATOM 0 HE1 PHE A 95 -14.621 -21.171 -16.764 1.00 60.11 H new ATOM 0 HE2 PHE A 95 -12.408 -20.977 -13.127 1.00 40.04 H new ATOM 0 HZ PHE A 95 -14.411 -20.397 -14.438 1.00 14.23 H new ATOM 1461 N THR A 96 -7.592 -22.007 -16.118 1.00 23.32 N ATOM 1462 CA THR A 96 -6.719 -21.183 -15.286 1.00 54.42 C ATOM 1463 C THR A 96 -6.494 -19.801 -15.914 1.00 42.41 C ATOM 1464 O THR A 96 -6.345 -18.806 -15.204 1.00 72.35 O ATOM 1465 CB THR A 96 -5.357 -21.880 -15.067 1.00 45.44 C ATOM 1466 OG1 THR A 96 -5.566 -23.222 -14.603 1.00 71.41 O ATOM 1467 CG2 THR A 96 -4.506 -21.120 -14.058 1.00 1.31 C ATOM 0 H THR A 96 -7.235 -22.947 -16.290 1.00 23.32 H new ATOM 0 HA THR A 96 -7.213 -21.051 -14.324 1.00 54.42 H new ATOM 0 HB THR A 96 -4.828 -21.897 -16.020 1.00 45.44 H new ATOM 0 HG1 THR A 96 -4.700 -23.660 -14.467 1.00 71.41 H new ATOM 0 HG21 THR A 96 -3.554 -21.634 -13.924 1.00 1.31 H new ATOM 0 HG22 THR A 96 -4.325 -20.109 -14.423 1.00 1.31 H new ATOM 0 HG23 THR A 96 -5.030 -21.072 -13.103 1.00 1.31 H new ATOM 1475 N GLN A 97 -6.491 -19.749 -17.246 1.00 45.22 N ATOM 1476 CA GLN A 97 -6.364 -18.493 -17.975 1.00 64.31 C ATOM 1477 C GLN A 97 -7.469 -17.526 -17.573 1.00 43.22 C ATOM 1478 O GLN A 97 -7.202 -16.391 -17.191 1.00 1.00 O ATOM 1479 CB GLN A 97 -6.409 -18.768 -19.482 1.00 41.24 C ATOM 1480 CG GLN A 97 -5.368 -18.003 -20.284 1.00 73.02 C ATOM 1481 CD GLN A 97 -5.855 -16.641 -20.749 1.00 62.35 C ATOM 1482 OE1 GLN A 97 -6.698 -16.012 -20.113 1.00 54.03 O ATOM 1483 NE2 GLN A 97 -5.327 -16.174 -21.867 1.00 1.23 N ATOM 0 H GLN A 97 -6.576 -20.571 -17.844 1.00 45.22 H new ATOM 0 HA GLN A 97 -5.408 -18.032 -17.726 1.00 64.31 H new ATOM 0 HB2 GLN A 97 -6.269 -19.836 -19.650 1.00 41.24 H new ATOM 0 HB3 GLN A 97 -7.400 -18.514 -19.857 1.00 41.24 H new ATOM 0 HG2 GLN A 97 -4.473 -17.874 -19.676 1.00 73.02 H new ATOM 0 HG3 GLN A 97 -5.080 -18.595 -21.153 1.00 73.02 H new ATOM 0 HE21 GLN A 97 -4.629 -16.723 -22.370 1.00 1.23 H new ATOM 0 HE22 GLN A 97 -5.617 -15.265 -22.227 1.00 1.23 H new ATOM 1492 N ALA A 98 -8.706 -18.001 -17.611 1.00 40.11 N ATOM 1493 CA ALA A 98 -9.857 -17.165 -17.299 1.00 40.33 C ATOM 1494 C ALA A 98 -9.872 -16.783 -15.823 1.00 42.11 C ATOM 1495 O ALA A 98 -10.384 -15.725 -15.448 1.00 24.14 O ATOM 1496 CB ALA A 98 -11.143 -17.885 -17.669 1.00 1.34 C ATOM 0 H ALA A 98 -8.939 -18.964 -17.855 1.00 40.11 H new ATOM 0 HA ALA A 98 -9.781 -16.249 -17.885 1.00 40.33 H new ATOM 0 HB1 ALA A 98 -11.997 -17.250 -17.431 1.00 1.34 H new ATOM 0 HB2 ALA A 98 -11.142 -18.107 -18.736 1.00 1.34 H new ATOM 0 HB3 ALA A 98 -11.214 -18.815 -17.105 1.00 1.34 H new ATOM 1502 N TYR A 99 -9.305 -17.650 -14.994 1.00 44.11 N ATOM 1503 CA TYR A 99 -9.265 -17.434 -13.552 1.00 71.42 C ATOM 1504 C TYR A 99 -8.228 -16.376 -13.178 1.00 75.30 C ATOM 1505 O TYR A 99 -8.494 -15.505 -12.349 1.00 21.40 O ATOM 1506 CB TYR A 99 -8.944 -18.755 -12.844 1.00 60.43 C ATOM 1507 CG TYR A 99 -8.818 -18.653 -11.335 1.00 51.01 C ATOM 1508 CD1 TYR A 99 -9.940 -18.702 -10.514 1.00 73.31 C ATOM 1509 CD2 TYR A 99 -7.572 -18.524 -10.729 1.00 71.23 C ATOM 1510 CE1 TYR A 99 -9.823 -18.626 -9.137 1.00 34.14 C ATOM 1511 CE2 TYR A 99 -7.449 -18.445 -9.356 1.00 2.33 C ATOM 1512 CZ TYR A 99 -8.574 -18.498 -8.563 1.00 64.20 C ATOM 1513 OH TYR A 99 -8.450 -18.430 -7.192 1.00 74.11 O ATOM 0 H TYR A 99 -8.863 -18.517 -15.299 1.00 44.11 H new ATOM 0 HA TYR A 99 -10.243 -17.073 -13.232 1.00 71.42 H new ATOM 0 HB2 TYR A 99 -9.725 -19.478 -13.081 1.00 60.43 H new ATOM 0 HB3 TYR A 99 -8.011 -19.150 -13.247 1.00 60.43 H new ATOM 0 HD1 TYR A 99 -10.919 -18.801 -10.959 1.00 73.31 H new ATOM 0 HD2 TYR A 99 -6.685 -18.485 -11.344 1.00 71.23 H new ATOM 0 HE1 TYR A 99 -10.705 -18.667 -8.515 1.00 34.14 H new ATOM 0 HE2 TYR A 99 -6.473 -18.342 -8.905 1.00 2.33 H new ATOM 0 HH TYR A 99 -7.504 -18.342 -6.953 1.00 74.11 H new ATOM 1523 N ALA A 100 -7.058 -16.449 -13.800 1.00 63.31 N ATOM 1524 CA ALA A 100 -5.933 -15.590 -13.429 1.00 33.53 C ATOM 1525 C ALA A 100 -5.887 -14.302 -14.251 1.00 42.21 C ATOM 1526 O ALA A 100 -5.199 -13.351 -13.876 1.00 2.34 O ATOM 1527 CB ALA A 100 -4.627 -16.358 -13.582 1.00 51.31 C ATOM 0 H ALA A 100 -6.860 -17.094 -14.565 1.00 63.31 H new ATOM 0 HA ALA A 100 -6.072 -15.299 -12.388 1.00 33.53 H new ATOM 0 HB1 ALA A 100 -3.792 -15.715 -13.305 1.00 51.31 H new ATOM 0 HB2 ALA A 100 -4.642 -17.234 -12.933 1.00 51.31 H new ATOM 0 HB3 ALA A 100 -4.511 -16.676 -14.618 1.00 51.31 H new ATOM 1533 N LYS A 101 -6.626 -14.269 -15.355 1.00 41.23 N ATOM 1534 CA LYS A 101 -6.598 -13.130 -16.274 1.00 32.31 C ATOM 1535 C LYS A 101 -7.053 -11.839 -15.588 1.00 43.22 C ATOM 1536 O LYS A 101 -8.249 -11.570 -15.468 1.00 32.44 O ATOM 1537 CB LYS A 101 -7.464 -13.427 -17.503 1.00 75.34 C ATOM 1538 CG LYS A 101 -7.436 -12.348 -18.577 1.00 61.10 C ATOM 1539 CD LYS A 101 -8.094 -12.834 -19.864 1.00 24.24 C ATOM 1540 CE LYS A 101 -9.516 -13.323 -19.623 1.00 25.02 C ATOM 1541 NZ LYS A 101 -10.130 -13.906 -20.849 1.00 73.43 N ATOM 0 H LYS A 101 -7.255 -15.020 -15.638 1.00 41.23 H new ATOM 0 HA LYS A 101 -5.567 -12.979 -16.594 1.00 32.31 H new ATOM 0 HB2 LYS A 101 -7.135 -14.368 -17.944 1.00 75.34 H new ATOM 0 HB3 LYS A 101 -8.495 -13.571 -17.178 1.00 75.34 H new ATOM 0 HG2 LYS A 101 -7.951 -11.458 -18.216 1.00 61.10 H new ATOM 0 HG3 LYS A 101 -6.405 -12.059 -18.779 1.00 61.10 H new ATOM 0 HD2 LYS A 101 -8.107 -12.024 -20.594 1.00 24.24 H new ATOM 0 HD3 LYS A 101 -7.500 -13.641 -20.294 1.00 24.24 H new ATOM 0 HE2 LYS A 101 -9.511 -14.072 -18.831 1.00 25.02 H new ATOM 0 HE3 LYS A 101 -10.129 -12.492 -19.272 1.00 25.02 H new ATOM 0 HZ1 LYS A 101 -11.097 -14.224 -20.635 1.00 73.43 H new ATOM 0 HZ2 LYS A 101 -10.161 -13.185 -21.598 1.00 73.43 H new ATOM 0 HZ3 LYS A 101 -9.562 -14.716 -21.170 1.00 73.43 H new ATOM 1555 N LEU A 102 -6.069 -11.070 -15.113 1.00 42.52 N ATOM 1556 CA LEU A 102 -6.297 -9.764 -14.492 1.00 72.21 C ATOM 1557 C LEU A 102 -7.162 -9.864 -13.237 1.00 63.12 C ATOM 1558 O LEU A 102 -7.801 -8.888 -12.839 1.00 1.22 O ATOM 1559 CB LEU A 102 -6.930 -8.791 -15.492 1.00 15.24 C ATOM 1560 CG LEU A 102 -6.047 -8.417 -16.685 1.00 63.33 C ATOM 1561 CD1 LEU A 102 -6.784 -7.472 -17.618 1.00 73.31 C ATOM 1562 CD2 LEU A 102 -4.744 -7.788 -16.212 1.00 23.22 C ATOM 0 H LEU A 102 -5.086 -11.339 -15.149 1.00 42.52 H new ATOM 0 HA LEU A 102 -5.322 -9.382 -14.190 1.00 72.21 H new ATOM 0 HB2 LEU A 102 -7.854 -9.231 -15.868 1.00 15.24 H new ATOM 0 HB3 LEU A 102 -7.204 -7.878 -14.963 1.00 15.24 H new ATOM 0 HG LEU A 102 -5.809 -9.329 -17.233 1.00 63.33 H new ATOM 0 HD11 LEU A 102 -6.141 -7.217 -18.460 1.00 73.31 H new ATOM 0 HD12 LEU A 102 -7.689 -7.956 -17.986 1.00 73.31 H new ATOM 0 HD13 LEU A 102 -7.052 -6.564 -17.078 1.00 73.31 H new ATOM 0 HD21 LEU A 102 -4.131 -7.529 -17.075 1.00 23.22 H new ATOM 0 HD22 LEU A 102 -4.962 -6.887 -15.639 1.00 23.22 H new ATOM 0 HD23 LEU A 102 -4.205 -8.497 -15.583 1.00 23.22 H new ATOM 1574 N MET A 103 -7.149 -11.026 -12.592 1.00 62.11 N ATOM 1575 CA MET A 103 -7.942 -11.234 -11.382 1.00 14.52 C ATOM 1576 C MET A 103 -7.455 -10.344 -10.242 1.00 4.10 C ATOM 1577 O MET A 103 -8.256 -9.827 -9.465 1.00 73.25 O ATOM 1578 CB MET A 103 -7.937 -12.715 -10.962 1.00 1.54 C ATOM 1579 CG MET A 103 -6.556 -13.347 -10.803 1.00 10.34 C ATOM 1580 SD MET A 103 -5.743 -12.954 -9.238 1.00 24.04 S ATOM 1581 CE MET A 103 -6.853 -13.728 -8.067 1.00 61.55 C ATOM 0 H MET A 103 -6.601 -11.836 -12.884 1.00 62.11 H new ATOM 0 HA MET A 103 -8.970 -10.953 -11.610 1.00 14.52 H new ATOM 0 HB2 MET A 103 -8.472 -12.809 -10.017 1.00 1.54 H new ATOM 0 HB3 MET A 103 -8.496 -13.287 -11.702 1.00 1.54 H new ATOM 0 HG2 MET A 103 -6.651 -14.429 -10.889 1.00 10.34 H new ATOM 0 HG3 MET A 103 -5.920 -13.016 -11.624 1.00 10.34 H new ATOM 0 HE1 MET A 103 -6.309 -13.968 -7.153 1.00 61.55 H new ATOM 0 HE2 MET A 103 -7.670 -13.045 -7.834 1.00 61.55 H new ATOM 0 HE3 MET A 103 -7.257 -14.643 -8.499 1.00 61.55 H new ATOM 1591 N ASN A 104 -6.145 -10.140 -10.172 1.00 62.00 N ATOM 1592 CA ASN A 104 -5.550 -9.325 -9.117 1.00 13.22 C ATOM 1593 C ASN A 104 -5.888 -7.859 -9.322 1.00 33.40 C ATOM 1594 O ASN A 104 -6.061 -7.111 -8.366 1.00 14.24 O ATOM 1595 CB ASN A 104 -4.035 -9.514 -9.086 1.00 33.42 C ATOM 1596 CG ASN A 104 -3.374 -8.726 -7.969 1.00 42.13 C ATOM 1597 OD1 ASN A 104 -2.903 -7.612 -8.175 1.00 62.41 O ATOM 1598 ND2 ASN A 104 -3.348 -9.296 -6.777 1.00 34.31 N ATOM 0 H ASN A 104 -5.473 -10.528 -10.834 1.00 62.00 H new ATOM 0 HA ASN A 104 -5.963 -9.648 -8.162 1.00 13.22 H new ATOM 0 HB2 ASN A 104 -3.807 -10.573 -8.964 1.00 33.42 H new ATOM 0 HB3 ASN A 104 -3.614 -9.205 -10.043 1.00 33.42 H new ATOM 0 HD21 ASN A 104 -2.925 -8.808 -5.987 1.00 34.31 H new ATOM 0 HD22 ASN A 104 -3.751 -10.224 -6.647 1.00 34.31 H new ATOM 1605 N GLN A 105 -5.994 -7.468 -10.581 1.00 1.23 N ATOM 1606 CA GLN A 105 -6.347 -6.111 -10.944 1.00 75.12 C ATOM 1607 C GLN A 105 -7.804 -5.809 -10.596 1.00 3.00 C ATOM 1608 O GLN A 105 -8.207 -4.650 -10.523 1.00 54.52 O ATOM 1609 CB GLN A 105 -6.112 -5.918 -12.439 1.00 11.25 C ATOM 1610 CG GLN A 105 -5.872 -4.478 -12.825 1.00 15.31 C ATOM 1611 CD GLN A 105 -6.953 -3.913 -13.732 1.00 41.20 C ATOM 1612 OE1 GLN A 105 -6.692 -3.028 -14.547 1.00 43.15 O ATOM 1613 NE2 GLN A 105 -8.175 -4.397 -13.580 1.00 0.42 N ATOM 0 H GLN A 105 -5.837 -8.085 -11.378 1.00 1.23 H new ATOM 0 HA GLN A 105 -5.721 -5.421 -10.379 1.00 75.12 H new ATOM 0 HB2 GLN A 105 -5.254 -6.517 -12.745 1.00 11.25 H new ATOM 0 HB3 GLN A 105 -6.976 -6.295 -12.987 1.00 11.25 H new ATOM 0 HG2 GLN A 105 -5.812 -3.872 -11.921 1.00 15.31 H new ATOM 0 HG3 GLN A 105 -4.908 -4.399 -13.327 1.00 15.31 H new ATOM 0 HE21 GLN A 105 -8.351 -5.131 -12.894 1.00 0.42 H new ATOM 0 HE22 GLN A 105 -8.941 -4.037 -14.149 1.00 0.42 H new ATOM 1622 N TYR A 106 -8.595 -6.858 -10.405 1.00 62.41 N ATOM 1623 CA TYR A 106 -10.001 -6.696 -10.060 1.00 12.21 C ATOM 1624 C TYR A 106 -10.186 -6.692 -8.542 1.00 31.32 C ATOM 1625 O TYR A 106 -11.002 -5.938 -8.008 1.00 24.31 O ATOM 1626 CB TYR A 106 -10.841 -7.810 -10.698 1.00 54.52 C ATOM 1627 CG TYR A 106 -12.335 -7.644 -10.507 1.00 31.42 C ATOM 1628 CD1 TYR A 106 -13.040 -6.662 -11.196 1.00 30.53 C ATOM 1629 CD2 TYR A 106 -13.042 -8.472 -9.641 1.00 13.35 C ATOM 1630 CE1 TYR A 106 -14.405 -6.509 -11.026 1.00 41.41 C ATOM 1631 CE2 TYR A 106 -14.407 -8.326 -9.468 1.00 42.03 C ATOM 1632 CZ TYR A 106 -15.083 -7.343 -10.161 1.00 22.05 C ATOM 1633 OH TYR A 106 -16.443 -7.198 -9.993 1.00 15.45 O ATOM 0 H TYR A 106 -8.287 -7.827 -10.483 1.00 62.41 H new ATOM 0 HA TYR A 106 -10.342 -5.737 -10.451 1.00 12.21 H new ATOM 0 HB2 TYR A 106 -10.624 -7.848 -11.765 1.00 54.52 H new ATOM 0 HB3 TYR A 106 -10.536 -8.768 -10.276 1.00 54.52 H new ATOM 0 HD1 TYR A 106 -12.513 -6.008 -11.875 1.00 30.53 H new ATOM 0 HD2 TYR A 106 -12.517 -9.241 -9.095 1.00 13.35 H new ATOM 0 HE1 TYR A 106 -14.937 -5.741 -11.568 1.00 41.41 H new ATOM 0 HE2 TYR A 106 -14.941 -8.979 -8.793 1.00 42.03 H new ATOM 0 HH TYR A 106 -16.766 -7.864 -9.350 1.00 15.45 H new ATOM 1643 N ARG A 107 -9.433 -7.548 -7.856 1.00 24.44 N ATOM 1644 CA ARG A 107 -9.480 -7.620 -6.404 1.00 5.44 C ATOM 1645 C ARG A 107 -8.662 -6.499 -5.786 1.00 10.33 C ATOM 1646 O ARG A 107 -7.724 -6.008 -6.410 1.00 4.20 O ATOM 1647 CB ARG A 107 -8.969 -8.987 -5.915 1.00 74.23 C ATOM 1648 CG ARG A 107 -7.535 -9.339 -6.320 1.00 4.04 C ATOM 1649 CD ARG A 107 -6.527 -9.109 -5.191 1.00 51.00 C ATOM 1650 NE ARG A 107 -6.087 -7.716 -5.101 1.00 14.15 N ATOM 1651 CZ ARG A 107 -5.464 -7.182 -4.045 1.00 44.54 C ATOM 1652 NH1 ARG A 107 -5.207 -7.916 -2.968 1.00 51.12 N ATOM 1653 NH2 ARG A 107 -5.109 -5.904 -4.063 1.00 2.22 N ATOM 0 H ARG A 107 -8.781 -8.203 -8.288 1.00 24.44 H new ATOM 0 HA ARG A 107 -10.517 -7.504 -6.090 1.00 5.44 H new ATOM 0 HB2 ARG A 107 -9.037 -9.013 -4.827 1.00 74.23 H new ATOM 0 HB3 ARG A 107 -9.636 -9.761 -6.295 1.00 74.23 H new ATOM 0 HG2 ARG A 107 -7.495 -10.383 -6.629 1.00 4.04 H new ATOM 0 HG3 ARG A 107 -7.249 -8.740 -7.184 1.00 4.04 H new ATOM 0 HD2 ARG A 107 -6.976 -9.406 -4.243 1.00 51.00 H new ATOM 0 HD3 ARG A 107 -5.660 -9.750 -5.348 1.00 51.00 H new ATOM 0 HE ARG A 107 -6.268 -7.109 -5.901 1.00 14.15 H new ATOM 0 HH11 ARG A 107 -5.485 -8.897 -2.941 1.00 51.12 H new ATOM 0 HH12 ARG A 107 -4.731 -7.499 -2.168 1.00 51.12 H new ATOM 0 HH21 ARG A 107 -5.311 -5.330 -4.882 1.00 2.22 H new ATOM 0 HH22 ARG A 107 -4.634 -5.495 -3.258 1.00 2.22 H new ATOM 1667 N GLY A 108 -9.016 -6.116 -4.558 1.00 51.11 N ATOM 1668 CA GLY A 108 -8.242 -5.135 -3.813 1.00 54.00 C ATOM 1669 C GLY A 108 -7.878 -3.912 -4.628 1.00 43.43 C ATOM 1670 O GLY A 108 -6.739 -3.771 -5.072 1.00 31.44 O ATOM 0 H GLY A 108 -9.834 -6.473 -4.063 1.00 51.11 H new ATOM 0 HA2 GLY A 108 -8.811 -4.823 -2.937 1.00 54.00 H new ATOM 0 HA3 GLY A 108 -7.328 -5.605 -3.448 1.00 54.00 H new ATOM 1674 N ILE A 109 -8.844 -3.024 -4.805 1.00 33.23 N ATOM 1675 CA ILE A 109 -8.659 -1.817 -5.603 1.00 5.45 C ATOM 1676 C ILE A 109 -7.548 -0.926 -5.038 1.00 74.03 C ATOM 1677 O ILE A 109 -6.918 -0.166 -5.772 1.00 61.03 O ATOM 1678 CB ILE A 109 -9.985 -1.019 -5.678 1.00 52.11 C ATOM 1679 CG1 ILE A 109 -11.029 -1.814 -6.465 1.00 54.24 C ATOM 1680 CG2 ILE A 109 -9.782 0.357 -6.294 1.00 64.24 C ATOM 1681 CD1 ILE A 109 -10.597 -2.163 -7.875 1.00 75.55 C ATOM 0 H ILE A 109 -9.776 -3.117 -4.402 1.00 33.23 H new ATOM 0 HA ILE A 109 -8.362 -2.128 -6.605 1.00 5.45 H new ATOM 0 HB ILE A 109 -10.344 -0.867 -4.660 1.00 52.11 H new ATOM 0 HG12 ILE A 109 -11.254 -2.734 -5.926 1.00 54.24 H new ATOM 0 HG13 ILE A 109 -11.953 -1.237 -6.510 1.00 54.24 H new ATOM 0 HG21 ILE A 109 -10.735 0.884 -6.329 1.00 64.24 H new ATOM 0 HG22 ILE A 109 -9.075 0.925 -5.690 1.00 64.24 H new ATOM 0 HG23 ILE A 109 -9.390 0.249 -7.305 1.00 64.24 H new ATOM 0 HD11 ILE A 109 -11.389 -2.726 -8.369 1.00 75.55 H new ATOM 0 HD12 ILE A 109 -10.400 -1.247 -8.433 1.00 75.55 H new ATOM 0 HD13 ILE A 109 -9.691 -2.767 -7.839 1.00 75.55 H new ATOM 1693 N TYR A 110 -7.290 -1.038 -3.743 1.00 0.22 N ATOM 1694 CA TYR A 110 -6.320 -0.169 -3.094 1.00 12.32 C ATOM 1695 C TYR A 110 -4.931 -0.813 -3.083 1.00 33.20 C ATOM 1696 O TYR A 110 -4.798 -2.032 -3.206 1.00 5.43 O ATOM 1697 CB TYR A 110 -6.765 0.164 -1.661 1.00 75.45 C ATOM 1698 CG TYR A 110 -6.472 -0.922 -0.641 1.00 5.23 C ATOM 1699 CD1 TYR A 110 -6.992 -2.205 -0.778 1.00 5.03 C ATOM 1700 CD2 TYR A 110 -5.654 -0.662 0.451 1.00 33.22 C ATOM 1701 CE1 TYR A 110 -6.706 -3.194 0.145 1.00 41.30 C ATOM 1702 CE2 TYR A 110 -5.361 -1.646 1.376 1.00 24.24 C ATOM 1703 CZ TYR A 110 -5.889 -2.909 1.220 1.00 71.33 C ATOM 1704 OH TYR A 110 -5.596 -3.890 2.140 1.00 72.21 O ATOM 0 H TYR A 110 -7.735 -1.717 -3.125 1.00 0.22 H new ATOM 0 HA TYR A 110 -6.263 0.758 -3.665 1.00 12.32 H new ATOM 0 HB2 TYR A 110 -6.272 1.083 -1.346 1.00 75.45 H new ATOM 0 HB3 TYR A 110 -7.837 0.362 -1.664 1.00 75.45 H new ATOM 0 HD1 TYR A 110 -7.630 -2.432 -1.619 1.00 5.03 H new ATOM 0 HD2 TYR A 110 -5.239 0.327 0.580 1.00 33.22 H new ATOM 0 HE1 TYR A 110 -7.120 -4.184 0.025 1.00 41.30 H new ATOM 0 HE2 TYR A 110 -4.721 -1.426 2.218 1.00 24.24 H new ATOM 0 HH TYR A 110 -5.007 -3.524 2.833 1.00 72.21 H new ATOM 1714 N SER A 111 -3.907 0.016 -2.921 1.00 23.22 N ATOM 1715 CA SER A 111 -2.524 -0.444 -2.929 1.00 4.32 C ATOM 1716 C SER A 111 -2.196 -1.169 -1.625 1.00 74.21 C ATOM 1717 O SER A 111 -3.012 -1.215 -0.708 1.00 70.54 O ATOM 1718 CB SER A 111 -1.572 0.736 -3.147 1.00 44.31 C ATOM 1719 OG SER A 111 -0.266 0.292 -3.476 1.00 13.45 O ATOM 0 H SER A 111 -4.011 1.021 -2.781 1.00 23.22 H new ATOM 0 HA SER A 111 -2.395 -1.146 -3.752 1.00 4.32 H new ATOM 0 HB2 SER A 111 -1.954 1.371 -3.946 1.00 44.31 H new ATOM 0 HB3 SER A 111 -1.534 1.347 -2.245 1.00 44.31 H new ATOM 0 HG SER A 111 -0.321 -0.564 -3.949 1.00 13.45 H new ATOM 1725 N PHE A 112 -0.999 -1.730 -1.541 1.00 24.34 N ATOM 1726 CA PHE A 112 -0.621 -2.536 -0.390 1.00 5.00 C ATOM 1727 C PHE A 112 0.203 -1.708 0.588 1.00 23.41 C ATOM 1728 O PHE A 112 0.654 -0.610 0.255 1.00 64.12 O ATOM 1729 CB PHE A 112 0.202 -3.755 -0.826 1.00 24.15 C ATOM 1730 CG PHE A 112 -0.534 -4.724 -1.711 1.00 43.02 C ATOM 1731 CD1 PHE A 112 -0.538 -4.563 -3.086 1.00 64.32 C ATOM 1732 CD2 PHE A 112 -1.210 -5.802 -1.165 1.00 52.21 C ATOM 1733 CE1 PHE A 112 -1.205 -5.457 -3.900 1.00 30.44 C ATOM 1734 CE2 PHE A 112 -1.878 -6.701 -1.974 1.00 22.51 C ATOM 1735 CZ PHE A 112 -1.877 -6.527 -3.343 1.00 42.20 C ATOM 0 H PHE A 112 -0.275 -1.642 -2.254 1.00 24.34 H new ATOM 0 HA PHE A 112 -1.536 -2.875 0.095 1.00 5.00 H new ATOM 0 HB2 PHE A 112 1.092 -3.407 -1.351 1.00 24.15 H new ATOM 0 HB3 PHE A 112 0.544 -4.283 0.064 1.00 24.15 H new ATOM 0 HD1 PHE A 112 -0.013 -3.728 -3.527 1.00 64.32 H new ATOM 0 HD2 PHE A 112 -1.215 -5.942 -0.094 1.00 52.21 H new ATOM 0 HE1 PHE A 112 -1.201 -5.319 -4.971 1.00 30.44 H new ATOM 0 HE2 PHE A 112 -2.400 -7.539 -1.536 1.00 22.51 H new ATOM 0 HZ PHE A 112 -2.401 -7.226 -3.978 1.00 42.20 H new ATOM 1745 N GLU A 113 0.411 -2.245 1.782 1.00 42.31 N ATOM 1746 CA GLU A 113 1.196 -1.565 2.799 1.00 72.31 C ATOM 1747 C GLU A 113 2.643 -2.047 2.742 1.00 20.31 C ATOM 1748 O GLU A 113 2.976 -3.165 3.136 1.00 15.11 O ATOM 1749 CB GLU A 113 0.596 -1.776 4.199 1.00 62.43 C ATOM 1750 CG GLU A 113 0.455 -3.233 4.621 1.00 72.32 C ATOM 1751 CD GLU A 113 -0.763 -3.920 4.029 1.00 41.32 C ATOM 1752 OE1 GLU A 113 -0.677 -4.425 2.886 1.00 1.44 O ATOM 1753 OE2 GLU A 113 -1.812 -3.972 4.706 1.00 15.52 O ATOM 0 H GLU A 113 0.045 -3.153 2.069 1.00 42.31 H new ATOM 0 HA GLU A 113 1.175 -0.494 2.597 1.00 72.31 H new ATOM 0 HB2 GLU A 113 1.221 -1.260 4.928 1.00 62.43 H new ATOM 0 HB3 GLU A 113 -0.387 -1.306 4.232 1.00 62.43 H new ATOM 0 HG2 GLU A 113 1.351 -3.778 4.322 1.00 72.32 H new ATOM 0 HG3 GLU A 113 0.399 -3.284 5.708 1.00 72.32 H new ATOM 1760 N LYS A 114 3.493 -1.170 2.252 1.00 30.43 N ATOM 1761 CA LYS A 114 4.842 -1.521 1.831 1.00 71.24 C ATOM 1762 C LYS A 114 5.767 -0.319 1.999 1.00 50.13 C ATOM 1763 O LYS A 114 5.303 0.818 2.018 1.00 74.44 O ATOM 1764 CB LYS A 114 4.830 -1.970 0.365 1.00 33.42 C ATOM 1765 CG LYS A 114 5.166 -3.442 0.147 1.00 51.41 C ATOM 1766 CD LYS A 114 4.109 -4.369 0.727 1.00 34.42 C ATOM 1767 CE LYS A 114 4.407 -5.827 0.413 1.00 33.34 C ATOM 1768 NZ LYS A 114 3.460 -6.752 1.093 1.00 44.44 N ATOM 0 H LYS A 114 3.269 -0.182 2.132 1.00 30.43 H new ATOM 0 HA LYS A 114 5.207 -2.340 2.451 1.00 71.24 H new ATOM 0 HB2 LYS A 114 3.844 -1.770 -0.054 1.00 33.42 H new ATOM 0 HB3 LYS A 114 5.542 -1.362 -0.193 1.00 33.42 H new ATOM 0 HG2 LYS A 114 5.268 -3.634 -0.921 1.00 51.41 H new ATOM 0 HG3 LYS A 114 6.130 -3.664 0.604 1.00 51.41 H new ATOM 0 HD2 LYS A 114 4.058 -4.232 1.807 1.00 34.42 H new ATOM 0 HD3 LYS A 114 3.131 -4.103 0.326 1.00 34.42 H new ATOM 0 HE2 LYS A 114 4.355 -5.983 -0.664 1.00 33.34 H new ATOM 0 HE3 LYS A 114 5.426 -6.062 0.720 1.00 33.34 H new ATOM 0 HZ1 LYS A 114 3.700 -7.734 0.851 1.00 44.44 H new ATOM 0 HZ2 LYS A 114 3.528 -6.623 2.123 1.00 44.44 H new ATOM 0 HZ3 LYS A 114 2.489 -6.546 0.781 1.00 44.44 H new ATOM 1782 N VAL A 115 7.052 -0.564 2.203 1.00 30.20 N ATOM 1783 CA VAL A 115 8.023 0.522 2.278 1.00 21.10 C ATOM 1784 C VAL A 115 8.757 0.685 0.937 1.00 22.13 C ATOM 1785 O VAL A 115 8.934 -0.284 0.193 1.00 12.31 O ATOM 1786 CB VAL A 115 9.045 0.282 3.418 1.00 13.12 C ATOM 1787 CG1 VAL A 115 9.918 -0.930 3.130 1.00 63.53 C ATOM 1788 CG2 VAL A 115 9.900 1.519 3.654 1.00 1.51 C ATOM 0 H VAL A 115 7.447 -1.497 2.319 1.00 30.20 H new ATOM 0 HA VAL A 115 7.478 1.440 2.496 1.00 21.10 H new ATOM 0 HB VAL A 115 8.482 0.080 4.329 1.00 13.12 H new ATOM 0 HG11 VAL A 115 10.624 -1.072 3.948 1.00 63.53 H new ATOM 0 HG12 VAL A 115 9.290 -1.816 3.035 1.00 63.53 H new ATOM 0 HG13 VAL A 115 10.466 -0.771 2.201 1.00 63.53 H new ATOM 0 HG21 VAL A 115 10.609 1.323 4.459 1.00 1.51 H new ATOM 0 HG22 VAL A 115 10.445 1.764 2.742 1.00 1.51 H new ATOM 0 HG23 VAL A 115 9.260 2.357 3.930 1.00 1.51 H new ATOM 1798 N LYS A 116 9.152 1.915 0.614 1.00 51.51 N ATOM 1799 CA LYS A 116 9.925 2.187 -0.599 1.00 0.51 C ATOM 1800 C LYS A 116 10.677 3.504 -0.461 1.00 65.30 C ATOM 1801 O LYS A 116 10.477 4.235 0.509 1.00 41.22 O ATOM 1802 CB LYS A 116 9.029 2.277 -1.842 1.00 22.11 C ATOM 1803 CG LYS A 116 8.221 3.565 -1.903 1.00 0.11 C ATOM 1804 CD LYS A 116 7.925 3.998 -3.332 1.00 1.25 C ATOM 1805 CE LYS A 116 7.091 2.974 -4.076 1.00 5.54 C ATOM 1806 NZ LYS A 116 6.750 3.427 -5.449 1.00 60.31 N ATOM 0 H LYS A 116 8.949 2.742 1.176 1.00 51.51 H new ATOM 0 HA LYS A 116 10.621 1.357 -0.722 1.00 0.51 H new ATOM 0 HB2 LYS A 116 9.649 2.201 -2.736 1.00 22.11 H new ATOM 0 HB3 LYS A 116 8.347 1.427 -1.854 1.00 22.11 H new ATOM 0 HG2 LYS A 116 7.282 3.427 -1.366 1.00 0.11 H new ATOM 0 HG3 LYS A 116 8.767 4.358 -1.392 1.00 0.11 H new ATOM 0 HD2 LYS A 116 7.400 4.953 -3.320 1.00 1.25 H new ATOM 0 HD3 LYS A 116 8.863 4.157 -3.864 1.00 1.25 H new ATOM 0 HE2 LYS A 116 7.637 2.032 -4.130 1.00 5.54 H new ATOM 0 HE3 LYS A 116 6.174 2.780 -3.520 1.00 5.54 H new ATOM 0 HZ1 LYS A 116 6.179 2.698 -5.923 1.00 60.31 H new ATOM 0 HZ2 LYS A 116 6.207 4.313 -5.398 1.00 60.31 H new ATOM 0 HZ3 LYS A 116 7.624 3.588 -5.989 1.00 60.31 H new ATOM 1820 N ALA A 117 11.537 3.775 -1.446 1.00 15.30 N ATOM 1821 CA ALA A 117 12.197 5.074 -1.607 1.00 12.13 C ATOM 1822 C ALA A 117 13.326 5.286 -0.607 1.00 61.23 C ATOM 1823 O ALA A 117 13.382 4.656 0.446 1.00 4.24 O ATOM 1824 CB ALA A 117 11.191 6.216 -1.523 1.00 14.40 C ATOM 0 H ALA A 117 11.797 3.094 -2.160 1.00 15.30 H new ATOM 0 HA ALA A 117 12.644 5.071 -2.601 1.00 12.13 H new ATOM 0 HB1 ALA A 117 11.709 7.167 -1.646 1.00 14.40 H new ATOM 0 HB2 ALA A 117 10.447 6.104 -2.311 1.00 14.40 H new ATOM 0 HB3 ALA A 117 10.697 6.195 -0.552 1.00 14.40 H new ATOM 1830 N HIS A 118 14.245 6.169 -0.972 1.00 54.11 N ATOM 1831 CA HIS A 118 15.366 6.506 -0.108 1.00 43.23 C ATOM 1832 C HIS A 118 15.437 8.014 0.094 1.00 14.44 C ATOM 1833 O HIS A 118 16.343 8.522 0.757 1.00 43.53 O ATOM 1834 CB HIS A 118 16.688 5.972 -0.686 1.00 1.53 C ATOM 1835 CG HIS A 118 17.100 6.601 -1.984 1.00 12.01 C ATOM 1836 ND1 HIS A 118 16.679 6.142 -3.213 1.00 34.13 N ATOM 1837 CD2 HIS A 118 17.900 7.665 -2.240 1.00 14.25 C ATOM 1838 CE1 HIS A 118 17.198 6.894 -4.166 1.00 32.03 C ATOM 1839 NE2 HIS A 118 17.943 7.828 -3.603 1.00 22.33 N ATOM 0 H HIS A 118 14.235 6.666 -1.863 1.00 54.11 H new ATOM 0 HA HIS A 118 15.209 6.030 0.860 1.00 43.23 H new ATOM 0 HB2 HIS A 118 17.480 6.129 0.047 1.00 1.53 H new ATOM 0 HB3 HIS A 118 16.598 4.896 -0.831 1.00 1.53 H new ATOM 0 HD2 HIS A 118 18.410 8.273 -1.507 1.00 14.25 H new ATOM 0 HE1 HIS A 118 17.040 6.767 -5.227 1.00 32.03 H new ATOM 0 HE2 HIS A 118 18.464 8.551 -4.099 1.00 22.33 H new ATOM 1848 N SER A 119 14.494 8.725 -0.507 1.00 21.52 N ATOM 1849 CA SER A 119 14.376 10.161 -0.315 1.00 32.10 C ATOM 1850 C SER A 119 12.916 10.583 -0.453 1.00 73.34 C ATOM 1851 O SER A 119 12.457 11.487 0.245 1.00 72.05 O ATOM 1852 CB SER A 119 15.248 10.906 -1.332 1.00 11.21 C ATOM 1853 OG SER A 119 15.347 12.284 -1.018 1.00 71.33 O ATOM 0 H SER A 119 13.796 8.327 -1.135 1.00 21.52 H new ATOM 0 HA SER A 119 14.723 10.416 0.687 1.00 32.10 H new ATOM 0 HB2 SER A 119 16.244 10.464 -1.352 1.00 11.21 H new ATOM 0 HB3 SER A 119 14.826 10.788 -2.330 1.00 11.21 H new ATOM 0 HG SER A 119 15.910 12.731 -1.683 1.00 71.33 H new ATOM 1859 N GLY A 120 12.188 9.903 -1.343 1.00 45.33 N ATOM 1860 CA GLY A 120 10.770 10.145 -1.498 1.00 50.23 C ATOM 1861 C GLY A 120 10.446 11.509 -2.077 1.00 41.30 C ATOM 1862 O GLY A 120 11.293 12.400 -2.135 1.00 22.42 O ATOM 0 H GLY A 120 12.565 9.184 -1.961 1.00 45.33 H new ATOM 0 HA2 GLY A 120 10.347 9.376 -2.144 1.00 50.23 H new ATOM 0 HA3 GLY A 120 10.285 10.047 -0.527 1.00 50.23 H new ATOM 1866 N ASN A 121 9.219 11.647 -2.545 1.00 14.15 N ATOM 1867 CA ASN A 121 8.680 12.947 -2.931 1.00 64.51 C ATOM 1868 C ASN A 121 8.318 13.708 -1.651 1.00 21.21 C ATOM 1869 O ASN A 121 8.417 13.148 -0.564 1.00 23.25 O ATOM 1870 CB ASN A 121 7.449 12.761 -3.833 1.00 34.35 C ATOM 1871 CG ASN A 121 7.152 13.968 -4.715 1.00 34.30 C ATOM 1872 OD1 ASN A 121 7.451 15.108 -4.368 1.00 34.40 O ATOM 1873 ND2 ASN A 121 6.549 13.725 -5.870 1.00 33.33 N ATOM 0 H ASN A 121 8.569 10.871 -2.669 1.00 14.15 H new ATOM 0 HA ASN A 121 9.417 13.516 -3.498 1.00 64.51 H new ATOM 0 HB2 ASN A 121 7.602 11.887 -4.466 1.00 34.35 H new ATOM 0 HB3 ASN A 121 6.579 12.554 -3.209 1.00 34.35 H new ATOM 0 HD21 ASN A 121 6.321 14.496 -6.498 1.00 33.33 H new ATOM 0 HD22 ASN A 121 6.313 12.767 -6.131 1.00 33.33 H new ATOM 1880 N GLU A 122 7.880 14.953 -1.778 1.00 3.54 N ATOM 1881 CA GLU A 122 7.625 15.815 -0.623 1.00 5.44 C ATOM 1882 C GLU A 122 6.736 15.145 0.426 1.00 22.13 C ATOM 1883 O GLU A 122 7.095 15.068 1.601 1.00 62.13 O ATOM 1884 CB GLU A 122 6.991 17.128 -1.077 1.00 3.15 C ATOM 1885 CG GLU A 122 6.783 18.117 0.052 1.00 65.21 C ATOM 1886 CD GLU A 122 6.126 19.396 -0.408 1.00 60.12 C ATOM 1887 OE1 GLU A 122 6.790 20.192 -1.103 1.00 13.35 O ATOM 1888 OE2 GLU A 122 4.944 19.618 -0.069 1.00 74.11 O ATOM 0 H GLU A 122 7.691 15.396 -2.677 1.00 3.54 H new ATOM 0 HA GLU A 122 8.589 16.011 -0.153 1.00 5.44 H new ATOM 0 HB2 GLU A 122 7.624 17.584 -1.838 1.00 3.15 H new ATOM 0 HB3 GLU A 122 6.030 16.916 -1.546 1.00 3.15 H new ATOM 0 HG2 GLU A 122 6.169 17.656 0.825 1.00 65.21 H new ATOM 0 HG3 GLU A 122 7.746 18.351 0.507 1.00 65.21 H new ATOM 1895 N PHE A 123 5.578 14.670 0.004 1.00 64.24 N ATOM 1896 CA PHE A 123 4.645 14.029 0.923 1.00 14.31 C ATOM 1897 C PHE A 123 5.089 12.613 1.277 1.00 25.34 C ATOM 1898 O PHE A 123 4.763 12.104 2.348 1.00 61.31 O ATOM 1899 CB PHE A 123 3.228 14.032 0.353 1.00 54.30 C ATOM 1900 CG PHE A 123 2.599 15.397 0.361 1.00 40.33 C ATOM 1901 CD1 PHE A 123 2.095 15.931 1.536 1.00 72.34 C ATOM 1902 CD2 PHE A 123 2.523 16.152 -0.798 1.00 73.14 C ATOM 1903 CE1 PHE A 123 1.527 17.189 1.556 1.00 14.11 C ATOM 1904 CE2 PHE A 123 1.957 17.412 -0.784 1.00 63.41 C ATOM 1905 CZ PHE A 123 1.458 17.931 0.393 1.00 2.34 C ATOM 0 H PHE A 123 5.259 14.714 -0.964 1.00 64.24 H new ATOM 0 HA PHE A 123 4.641 14.610 1.845 1.00 14.31 H new ATOM 0 HB2 PHE A 123 3.252 13.654 -0.669 1.00 54.30 H new ATOM 0 HB3 PHE A 123 2.607 13.348 0.931 1.00 54.30 H new ATOM 0 HD1 PHE A 123 2.147 15.355 2.448 1.00 72.34 H new ATOM 0 HD2 PHE A 123 2.911 15.751 -1.723 1.00 73.14 H new ATOM 0 HE1 PHE A 123 1.137 17.592 2.479 1.00 14.11 H new ATOM 0 HE2 PHE A 123 1.905 17.991 -1.694 1.00 63.41 H new ATOM 0 HZ PHE A 123 1.014 18.916 0.405 1.00 2.34 H new ATOM 1915 N ASN A 124 5.841 11.977 0.382 1.00 54.51 N ATOM 1916 CA ASN A 124 6.345 10.629 0.640 1.00 15.45 C ATOM 1917 C ASN A 124 7.446 10.685 1.692 1.00 32.50 C ATOM 1918 O ASN A 124 7.656 9.734 2.437 1.00 23.42 O ATOM 1919 CB ASN A 124 6.867 9.973 -0.646 1.00 63.01 C ATOM 1920 CG ASN A 124 7.197 8.500 -0.456 1.00 44.15 C ATOM 1921 OD1 ASN A 124 6.602 7.822 0.377 1.00 71.30 O ATOM 1922 ND2 ASN A 124 8.117 7.984 -1.254 1.00 12.12 N ATOM 0 H ASN A 124 6.113 12.368 -0.520 1.00 54.51 H new ATOM 0 HA ASN A 124 5.521 10.019 1.012 1.00 15.45 H new ATOM 0 HB2 ASN A 124 6.119 10.076 -1.432 1.00 63.01 H new ATOM 0 HB3 ASN A 124 7.759 10.501 -0.983 1.00 63.01 H new ATOM 0 HD21 ASN A 124 8.352 6.994 -1.188 1.00 12.12 H new ATOM 0 HD22 ASN A 124 8.592 8.577 -1.935 1.00 12.12 H new ATOM 1929 N ASP A 125 8.128 11.827 1.743 1.00 13.04 N ATOM 1930 CA ASP A 125 9.169 12.100 2.735 1.00 63.01 C ATOM 1931 C ASP A 125 8.658 11.869 4.156 1.00 54.22 C ATOM 1932 O ASP A 125 9.422 11.508 5.047 1.00 72.23 O ATOM 1933 CB ASP A 125 9.658 13.542 2.567 1.00 4.43 C ATOM 1934 CG ASP A 125 10.575 14.018 3.678 1.00 52.34 C ATOM 1935 OD1 ASP A 125 11.788 13.726 3.631 1.00 32.12 O ATOM 1936 OD2 ASP A 125 10.090 14.733 4.583 1.00 61.15 O ATOM 0 H ASP A 125 7.973 12.597 1.092 1.00 13.04 H new ATOM 0 HA ASP A 125 9.998 11.411 2.572 1.00 63.01 H new ATOM 0 HB2 ASP A 125 10.183 13.628 1.615 1.00 4.43 H new ATOM 0 HB3 ASP A 125 8.794 14.204 2.515 1.00 4.43 H new ATOM 1941 N TYR A 126 7.356 12.063 4.355 1.00 54.42 N ATOM 1942 CA TYR A 126 6.728 11.785 5.643 1.00 21.45 C ATOM 1943 C TYR A 126 6.928 10.326 6.047 1.00 60.01 C ATOM 1944 O TYR A 126 7.395 10.034 7.150 1.00 33.04 O ATOM 1945 CB TYR A 126 5.232 12.095 5.594 1.00 41.32 C ATOM 1946 CG TYR A 126 4.846 13.380 6.292 1.00 41.43 C ATOM 1947 CD1 TYR A 126 5.118 13.563 7.643 1.00 13.44 C ATOM 1948 CD2 TYR A 126 4.194 14.401 5.609 1.00 4.33 C ATOM 1949 CE1 TYR A 126 4.751 14.726 8.293 1.00 1.21 C ATOM 1950 CE2 TYR A 126 3.829 15.569 6.253 1.00 53.30 C ATOM 1951 CZ TYR A 126 4.109 15.725 7.595 1.00 32.34 C ATOM 1952 OH TYR A 126 3.734 16.884 8.243 1.00 73.15 O ATOM 0 H TYR A 126 6.716 12.411 3.641 1.00 54.42 H new ATOM 0 HA TYR A 126 7.204 12.426 6.384 1.00 21.45 H new ATOM 0 HB2 TYR A 126 4.917 12.151 4.552 1.00 41.32 H new ATOM 0 HB3 TYR A 126 4.685 11.269 6.048 1.00 41.32 H new ATOM 0 HD1 TYR A 126 5.624 12.784 8.193 1.00 13.44 H new ATOM 0 HD2 TYR A 126 3.969 14.280 4.560 1.00 4.33 H new ATOM 0 HE1 TYR A 126 4.967 14.851 9.344 1.00 1.21 H new ATOM 0 HE2 TYR A 126 3.327 16.355 5.708 1.00 53.30 H new ATOM 0 HH TYR A 126 3.294 17.486 7.608 1.00 73.15 H new ATOM 1962 N VAL A 127 6.576 9.417 5.145 1.00 62.04 N ATOM 1963 CA VAL A 127 6.712 7.990 5.404 1.00 20.44 C ATOM 1964 C VAL A 127 8.170 7.561 5.264 1.00 50.55 C ATOM 1965 O VAL A 127 8.652 6.733 6.031 1.00 11.21 O ATOM 1966 CB VAL A 127 5.807 7.147 4.472 1.00 33.23 C ATOM 1967 CG1 VAL A 127 5.998 5.661 4.724 1.00 43.52 C ATOM 1968 CG2 VAL A 127 4.352 7.537 4.669 1.00 34.14 C ATOM 0 H VAL A 127 6.194 9.644 4.227 1.00 62.04 H new ATOM 0 HA VAL A 127 6.386 7.809 6.428 1.00 20.44 H new ATOM 0 HB VAL A 127 6.092 7.351 3.440 1.00 33.23 H new ATOM 0 HG11 VAL A 127 5.351 5.093 4.056 1.00 43.52 H new ATOM 0 HG12 VAL A 127 7.038 5.391 4.538 1.00 43.52 H new ATOM 0 HG13 VAL A 127 5.743 5.432 5.759 1.00 43.52 H new ATOM 0 HG21 VAL A 127 3.723 6.939 4.010 1.00 34.14 H new ATOM 0 HG22 VAL A 127 4.065 7.358 5.705 1.00 34.14 H new ATOM 0 HG23 VAL A 127 4.223 8.594 4.434 1.00 34.14 H new ATOM 1978 N ASP A 128 8.866 8.162 4.303 1.00 13.34 N ATOM 1979 CA ASP A 128 10.295 7.913 4.083 1.00 61.24 C ATOM 1980 C ASP A 128 11.104 8.187 5.352 1.00 42.14 C ATOM 1981 O ASP A 128 11.814 7.310 5.849 1.00 13.23 O ATOM 1982 CB ASP A 128 10.803 8.799 2.930 1.00 23.54 C ATOM 1983 CG ASP A 128 12.319 8.863 2.836 1.00 42.31 C ATOM 1984 OD1 ASP A 128 12.921 8.017 2.147 1.00 33.51 O ATOM 1985 OD2 ASP A 128 12.917 9.782 3.442 1.00 32.11 O ATOM 0 H ASP A 128 8.460 8.835 3.653 1.00 13.34 H new ATOM 0 HA ASP A 128 10.426 6.863 3.821 1.00 61.24 H new ATOM 0 HB2 ASP A 128 10.404 8.420 1.989 1.00 23.54 H new ATOM 0 HB3 ASP A 128 10.412 9.808 3.059 1.00 23.54 H new ATOM 1990 N MET A 129 10.961 9.395 5.886 1.00 14.10 N ATOM 1991 CA MET A 129 11.689 9.812 7.081 1.00 74.21 C ATOM 1992 C MET A 129 11.339 8.922 8.270 1.00 0.24 C ATOM 1993 O MET A 129 12.206 8.569 9.075 1.00 73.22 O ATOM 1994 CB MET A 129 11.370 11.276 7.398 1.00 3.51 C ATOM 1995 CG MET A 129 12.039 11.809 8.656 1.00 75.03 C ATOM 1996 SD MET A 129 11.616 13.533 8.984 1.00 45.33 S ATOM 1997 CE MET A 129 9.827 13.436 8.989 1.00 62.45 C ATOM 0 H MET A 129 10.341 10.110 5.506 1.00 14.10 H new ATOM 0 HA MET A 129 12.757 9.713 6.890 1.00 74.21 H new ATOM 0 HB2 MET A 129 11.673 11.892 6.552 1.00 3.51 H new ATOM 0 HB3 MET A 129 10.290 11.385 7.502 1.00 3.51 H new ATOM 0 HG2 MET A 129 11.744 11.197 9.508 1.00 75.03 H new ATOM 0 HG3 MET A 129 13.120 11.716 8.556 1.00 75.03 H new ATOM 0 HE1 MET A 129 9.417 14.308 9.498 1.00 62.45 H new ATOM 0 HE2 MET A 129 9.461 13.409 7.963 1.00 62.45 H new ATOM 0 HE3 MET A 129 9.513 12.531 9.510 1.00 62.45 H new ATOM 2007 N LYS A 130 10.070 8.552 8.375 1.00 23.42 N ATOM 2008 CA LYS A 130 9.617 7.684 9.455 1.00 61.34 C ATOM 2009 C LYS A 130 10.158 6.267 9.280 1.00 5.32 C ATOM 2010 O LYS A 130 10.619 5.648 10.240 1.00 25.11 O ATOM 2011 CB LYS A 130 8.087 7.671 9.533 1.00 32.41 C ATOM 2012 CG LYS A 130 7.534 8.448 10.721 1.00 53.33 C ATOM 2013 CD LYS A 130 8.071 9.870 10.759 1.00 32.42 C ATOM 2014 CE LYS A 130 7.742 10.554 12.076 1.00 72.15 C ATOM 2015 NZ LYS A 130 8.342 11.910 12.157 1.00 14.15 N ATOM 0 H LYS A 130 9.336 8.838 7.727 1.00 23.42 H new ATOM 0 HA LYS A 130 10.006 8.081 10.393 1.00 61.34 H new ATOM 0 HB2 LYS A 130 7.680 8.091 8.613 1.00 32.41 H new ATOM 0 HB3 LYS A 130 7.743 6.639 9.592 1.00 32.41 H new ATOM 0 HG2 LYS A 130 6.446 8.471 10.667 1.00 53.33 H new ATOM 0 HG3 LYS A 130 7.796 7.935 11.646 1.00 53.33 H new ATOM 0 HD2 LYS A 130 9.151 9.856 10.615 1.00 32.42 H new ATOM 0 HD3 LYS A 130 7.647 10.443 9.934 1.00 32.42 H new ATOM 0 HE2 LYS A 130 6.660 10.628 12.187 1.00 72.15 H new ATOM 0 HE3 LYS A 130 8.107 9.945 12.903 1.00 72.15 H new ATOM 0 HZ1 LYS A 130 8.096 12.345 13.069 1.00 14.15 H new ATOM 0 HZ2 LYS A 130 9.376 11.837 12.076 1.00 14.15 H new ATOM 0 HZ3 LYS A 130 7.975 12.499 11.382 1.00 14.15 H new ATOM 2029 N ALA A 131 10.120 5.770 8.050 1.00 62.41 N ATOM 2030 CA ALA A 131 10.629 4.439 7.744 1.00 55.11 C ATOM 2031 C ALA A 131 12.110 4.350 8.060 1.00 72.14 C ATOM 2032 O ALA A 131 12.565 3.384 8.665 1.00 73.51 O ATOM 2033 CB ALA A 131 10.379 4.094 6.284 1.00 32.10 C ATOM 0 H ALA A 131 9.741 6.270 7.246 1.00 62.41 H new ATOM 0 HA ALA A 131 10.098 3.718 8.366 1.00 55.11 H new ATOM 0 HB1 ALA A 131 10.766 3.097 6.074 1.00 32.10 H new ATOM 0 HB2 ALA A 131 9.308 4.117 6.083 1.00 32.10 H new ATOM 0 HB3 ALA A 131 10.884 4.820 5.647 1.00 32.10 H new ATOM 2039 N LYS A 132 12.856 5.371 7.659 1.00 55.45 N ATOM 2040 CA LYS A 132 14.280 5.446 7.956 1.00 32.40 C ATOM 2041 C LYS A 132 14.531 5.372 9.455 1.00 43.15 C ATOM 2042 O LYS A 132 15.432 4.667 9.904 1.00 11.10 O ATOM 2043 CB LYS A 132 14.872 6.734 7.398 1.00 71.44 C ATOM 2044 CG LYS A 132 15.024 6.730 5.889 1.00 72.12 C ATOM 2045 CD LYS A 132 15.317 8.118 5.363 1.00 75.52 C ATOM 2046 CE LYS A 132 15.649 8.092 3.884 1.00 4.55 C ATOM 2047 NZ LYS A 132 15.537 9.438 3.276 1.00 44.14 N ATOM 0 H LYS A 132 12.496 6.162 7.125 1.00 55.45 H new ATOM 0 HA LYS A 132 14.765 4.593 7.481 1.00 32.40 H new ATOM 0 HB2 LYS A 132 14.237 7.571 7.688 1.00 71.44 H new ATOM 0 HB3 LYS A 132 15.848 6.902 7.852 1.00 71.44 H new ATOM 0 HG2 LYS A 132 15.830 6.053 5.604 1.00 72.12 H new ATOM 0 HG3 LYS A 132 14.111 6.350 5.430 1.00 72.12 H new ATOM 0 HD2 LYS A 132 14.454 8.762 5.532 1.00 75.52 H new ATOM 0 HD3 LYS A 132 16.151 8.550 5.917 1.00 75.52 H new ATOM 0 HE2 LYS A 132 16.661 7.712 3.744 1.00 4.55 H new ATOM 0 HE3 LYS A 132 14.977 7.404 3.372 1.00 4.55 H new ATOM 0 HZ1 LYS A 132 15.721 9.374 2.254 1.00 44.14 H new ATOM 0 HZ2 LYS A 132 14.579 9.811 3.432 1.00 44.14 H new ATOM 0 HZ3 LYS A 132 16.232 10.076 3.714 1.00 44.14 H new ATOM 2061 N SER A 133 13.719 6.081 10.221 1.00 30.23 N ATOM 2062 CA SER A 133 13.865 6.106 11.666 1.00 51.41 C ATOM 2063 C SER A 133 13.578 4.727 12.267 1.00 33.44 C ATOM 2064 O SER A 133 14.302 4.256 13.147 1.00 21.21 O ATOM 2065 CB SER A 133 12.925 7.154 12.258 1.00 4.32 C ATOM 2066 OG SER A 133 13.130 8.421 11.645 1.00 75.30 O ATOM 0 H SER A 133 12.950 6.648 9.865 1.00 30.23 H new ATOM 0 HA SER A 133 14.894 6.370 11.911 1.00 51.41 H new ATOM 0 HB2 SER A 133 11.890 6.841 12.119 1.00 4.32 H new ATOM 0 HB3 SER A 133 13.092 7.233 13.332 1.00 4.32 H new ATOM 0 HG SER A 133 12.750 8.413 10.742 1.00 75.30 H new ATOM 2072 N ALA A 134 12.540 4.070 11.765 1.00 34.12 N ATOM 2073 CA ALA A 134 12.142 2.765 12.273 1.00 3.21 C ATOM 2074 C ALA A 134 13.111 1.669 11.830 1.00 32.34 C ATOM 2075 O ALA A 134 13.453 0.779 12.610 1.00 11.31 O ATOM 2076 CB ALA A 134 10.726 2.439 11.822 1.00 53.21 C ATOM 0 H ALA A 134 11.958 4.421 11.005 1.00 34.12 H new ATOM 0 HA ALA A 134 12.169 2.806 13.362 1.00 3.21 H new ATOM 0 HB1 ALA A 134 10.438 1.461 12.207 1.00 53.21 H new ATOM 0 HB2 ALA A 134 10.040 3.196 12.202 1.00 53.21 H new ATOM 0 HB3 ALA A 134 10.685 2.427 10.733 1.00 53.21 H new ATOM 2082 N LEU A 135 13.573 1.757 10.587 1.00 40.03 N ATOM 2083 CA LEU A 135 14.439 0.734 10.012 1.00 41.24 C ATOM 2084 C LEU A 135 15.876 0.935 10.460 1.00 70.42 C ATOM 2085 O LEU A 135 16.698 0.026 10.364 1.00 21.34 O ATOM 2086 CB LEU A 135 14.364 0.762 8.479 1.00 14.30 C ATOM 2087 CG LEU A 135 13.023 0.331 7.880 1.00 65.21 C ATOM 2088 CD1 LEU A 135 13.007 0.572 6.379 1.00 13.51 C ATOM 2089 CD2 LEU A 135 12.753 -1.134 8.178 1.00 3.20 C ATOM 0 H LEU A 135 13.361 2.530 9.956 1.00 40.03 H new ATOM 0 HA LEU A 135 14.093 -0.237 10.365 1.00 41.24 H new ATOM 0 HB2 LEU A 135 14.586 1.774 8.140 1.00 14.30 H new ATOM 0 HB3 LEU A 135 15.145 0.114 8.082 1.00 14.30 H new ATOM 0 HG LEU A 135 12.236 0.931 8.337 1.00 65.21 H new ATOM 0 HD11 LEU A 135 12.046 0.260 5.971 1.00 13.51 H new ATOM 0 HD12 LEU A 135 13.159 1.633 6.179 1.00 13.51 H new ATOM 0 HD13 LEU A 135 13.805 -0.003 5.910 1.00 13.51 H new ATOM 0 HD21 LEU A 135 11.796 -1.423 7.745 1.00 3.20 H new ATOM 0 HD22 LEU A 135 13.546 -1.745 7.747 1.00 3.20 H new ATOM 0 HD23 LEU A 135 12.724 -1.286 9.257 1.00 3.20 H new ATOM 2101 N GLY A 136 16.178 2.128 10.950 1.00 34.54 N ATOM 2102 CA GLY A 136 17.509 2.393 11.441 1.00 32.25 C ATOM 2103 C GLY A 136 18.447 2.861 10.347 1.00 61.00 C ATOM 2104 O GLY A 136 19.661 2.682 10.442 1.00 50.41 O ATOM 0 H GLY A 136 15.528 2.911 11.015 1.00 34.54 H new ATOM 0 HA2 GLY A 136 17.460 3.151 12.223 1.00 32.25 H new ATOM 0 HA3 GLY A 136 17.911 1.489 11.898 1.00 32.25 H new ATOM 2108 N ILE A 137 17.876 3.440 9.298 1.00 52.43 N ATOM 2109 CA ILE A 137 18.650 3.897 8.150 1.00 23.03 C ATOM 2110 C ILE A 137 19.669 4.954 8.566 1.00 62.05 C ATOM 2111 O ILE A 137 19.314 6.059 8.976 1.00 52.34 O ATOM 2112 CB ILE A 137 17.738 4.464 7.040 1.00 32.15 C ATOM 2113 CG1 ILE A 137 16.745 3.396 6.563 1.00 33.33 C ATOM 2114 CG2 ILE A 137 18.569 4.987 5.873 1.00 54.00 C ATOM 2115 CD1 ILE A 137 17.400 2.177 5.944 1.00 33.04 C ATOM 0 H ILE A 137 16.873 3.605 9.219 1.00 52.43 H new ATOM 0 HA ILE A 137 19.177 3.029 7.753 1.00 23.03 H new ATOM 0 HB ILE A 137 17.172 5.299 7.454 1.00 32.15 H new ATOM 0 HG12 ILE A 137 16.135 3.078 7.409 1.00 33.33 H new ATOM 0 HG13 ILE A 137 16.070 3.843 5.833 1.00 33.33 H new ATOM 0 HG21 ILE A 137 17.907 5.382 5.103 1.00 54.00 H new ATOM 0 HG22 ILE A 137 19.230 5.779 6.224 1.00 54.00 H new ATOM 0 HG23 ILE A 137 19.165 4.174 5.458 1.00 54.00 H new ATOM 0 HD11 ILE A 137 16.631 1.470 5.633 1.00 33.04 H new ATOM 0 HD12 ILE A 137 17.987 2.480 5.077 1.00 33.04 H new ATOM 0 HD13 ILE A 137 18.053 1.704 6.677 1.00 33.04 H new ATOM 2127 N ARG A 138 20.932 4.586 8.475 1.00 12.42 N ATOM 2128 CA ARG A 138 22.026 5.486 8.808 1.00 34.14 C ATOM 2129 C ARG A 138 22.452 6.279 7.578 1.00 4.40 C ATOM 2130 O ARG A 138 22.039 5.959 6.463 1.00 15.40 O ATOM 2131 CB ARG A 138 23.224 4.712 9.389 1.00 33.25 C ATOM 2132 CG ARG A 138 23.881 3.709 8.439 1.00 50.22 C ATOM 2133 CD ARG A 138 22.964 2.534 8.128 1.00 43.44 C ATOM 2134 NE ARG A 138 23.647 1.458 7.413 1.00 4.14 N ATOM 2135 CZ ARG A 138 23.521 1.215 6.109 1.00 43.12 C ATOM 2136 NH1 ARG A 138 22.776 2.003 5.339 1.00 0.15 N ATOM 2137 NH2 ARG A 138 24.148 0.174 5.578 1.00 31.41 N ATOM 0 H ARG A 138 21.231 3.660 8.170 1.00 12.42 H new ATOM 0 HA ARG A 138 21.673 6.181 9.570 1.00 34.14 H new ATOM 0 HB2 ARG A 138 23.978 5.431 9.709 1.00 33.25 H new ATOM 0 HB3 ARG A 138 22.893 4.179 10.280 1.00 33.25 H new ATOM 0 HG2 ARG A 138 24.153 4.213 7.511 1.00 50.22 H new ATOM 0 HG3 ARG A 138 24.805 3.340 8.884 1.00 50.22 H new ATOM 0 HD2 ARG A 138 22.554 2.143 9.059 1.00 43.44 H new ATOM 0 HD3 ARG A 138 22.122 2.884 7.531 1.00 43.44 H new ATOM 0 HE ARG A 138 24.264 0.849 7.951 1.00 4.14 H new ATOM 0 HH11 ARG A 138 22.293 2.804 5.745 1.00 0.15 H new ATOM 0 HH12 ARG A 138 22.688 1.806 4.342 1.00 0.15 H new ATOM 0 HH21 ARG A 138 24.720 -0.432 6.167 1.00 31.41 H new ATOM 0 HH22 ARG A 138 24.058 -0.021 4.581 1.00 31.41 H new ATOM 2151 N ASP A 139 23.285 7.295 7.792 1.00 3.24 N ATOM 2152 CA ASP A 139 23.723 8.186 6.714 1.00 30.24 C ATOM 2153 C ASP A 139 24.358 7.405 5.570 1.00 73.03 C ATOM 2154 O ASP A 139 25.227 6.559 5.790 1.00 14.23 O ATOM 2155 CB ASP A 139 24.724 9.222 7.235 1.00 23.34 C ATOM 2156 CG ASP A 139 24.112 10.154 8.256 1.00 33.10 C ATOM 2157 OD1 ASP A 139 23.424 11.116 7.855 1.00 43.51 O ATOM 2158 OD2 ASP A 139 24.308 9.923 9.469 1.00 11.14 O ATOM 0 H ASP A 139 23.673 7.525 8.707 1.00 3.24 H new ATOM 0 HA ASP A 139 22.836 8.697 6.340 1.00 30.24 H new ATOM 0 HB2 ASP A 139 25.575 8.708 7.681 1.00 23.34 H new ATOM 0 HB3 ASP A 139 25.107 9.806 6.398 1.00 23.34 H new ATOM 2163 N LEU A 140 23.932 7.702 4.350 1.00 14.55 N ATOM 2164 CA LEU A 140 24.452 7.026 3.167 1.00 71.21 C ATOM 2165 C LEU A 140 25.880 7.477 2.884 1.00 25.01 C ATOM 2166 O LEU A 140 26.662 6.765 2.251 1.00 15.40 O ATOM 2167 CB LEU A 140 23.559 7.313 1.955 1.00 51.43 C ATOM 2168 CG LEU A 140 22.096 6.885 2.102 1.00 2.43 C ATOM 2169 CD1 LEU A 140 21.300 7.276 0.868 1.00 14.12 C ATOM 2170 CD2 LEU A 140 21.999 5.387 2.345 1.00 4.30 C ATOM 0 H LEU A 140 23.225 8.410 4.152 1.00 14.55 H new ATOM 0 HA LEU A 140 24.455 5.952 3.355 1.00 71.21 H new ATOM 0 HB2 LEU A 140 23.588 8.383 1.749 1.00 51.43 H new ATOM 0 HB3 LEU A 140 23.982 6.809 1.086 1.00 51.43 H new ATOM 0 HG LEU A 140 21.673 7.401 2.964 1.00 2.43 H new ATOM 0 HD11 LEU A 140 20.263 6.964 0.990 1.00 14.12 H new ATOM 0 HD12 LEU A 140 21.341 8.357 0.736 1.00 14.12 H new ATOM 0 HD13 LEU A 140 21.725 6.788 -0.009 1.00 14.12 H new ATOM 0 HD21 LEU A 140 20.952 5.102 2.447 1.00 4.30 H new ATOM 0 HD22 LEU A 140 22.440 4.853 1.504 1.00 4.30 H new ATOM 0 HD23 LEU A 140 22.535 5.131 3.259 1.00 4.30 H new ATOM 2182 N GLU A 141 26.217 8.664 3.361 1.00 62.44 N ATOM 2183 CA GLU A 141 27.558 9.207 3.191 1.00 62.35 C ATOM 2184 C GLU A 141 28.443 8.883 4.391 1.00 73.24 C ATOM 2185 O GLU A 141 29.437 9.567 4.636 1.00 53.23 O ATOM 2186 CB GLU A 141 27.488 10.718 2.996 1.00 52.44 C ATOM 2187 CG GLU A 141 26.736 11.140 1.747 1.00 14.13 C ATOM 2188 CD GLU A 141 26.564 12.638 1.665 1.00 71.54 C ATOM 2189 OE1 GLU A 141 27.479 13.320 1.156 1.00 14.04 O ATOM 2190 OE2 GLU A 141 25.516 13.145 2.124 1.00 51.34 O ATOM 0 H GLU A 141 25.578 9.274 3.872 1.00 62.44 H new ATOM 0 HA GLU A 141 27.998 8.745 2.308 1.00 62.35 H new ATOM 0 HB2 GLU A 141 27.008 11.165 3.866 1.00 52.44 H new ATOM 0 HB3 GLU A 141 28.502 11.117 2.951 1.00 52.44 H new ATOM 0 HG2 GLU A 141 27.272 10.789 0.866 1.00 14.13 H new ATOM 0 HG3 GLU A 141 25.756 10.662 1.736 1.00 14.13 H new ATOM 2197 N HIS A 142 28.083 7.833 5.130 1.00 70.34 N ATOM 2198 CA HIS A 142 28.874 7.404 6.281 1.00 72.11 C ATOM 2199 C HIS A 142 30.323 7.158 5.863 1.00 11.40 C ATOM 2200 O HIS A 142 30.584 6.458 4.884 1.00 43.03 O ATOM 2201 CB HIS A 142 28.270 6.154 6.951 1.00 61.15 C ATOM 2202 CG HIS A 142 28.249 4.909 6.106 1.00 43.24 C ATOM 2203 ND1 HIS A 142 29.067 3.827 6.345 1.00 61.35 N ATOM 2204 CD2 HIS A 142 27.477 4.560 5.048 1.00 61.14 C ATOM 2205 CE1 HIS A 142 28.801 2.872 5.475 1.00 43.30 C ATOM 2206 NE2 HIS A 142 27.838 3.289 4.677 1.00 33.54 N ATOM 0 H HIS A 142 27.253 7.267 4.952 1.00 70.34 H new ATOM 0 HA HIS A 142 28.856 8.204 7.021 1.00 72.11 H new ATOM 0 HB2 HIS A 142 28.832 5.944 7.861 1.00 61.15 H new ATOM 0 HB3 HIS A 142 27.248 6.384 7.253 1.00 61.15 H new ATOM 0 HD2 HIS A 142 26.717 5.170 4.582 1.00 61.14 H new ATOM 0 HE1 HIS A 142 29.290 1.910 5.425 1.00 43.30 H new ATOM 0 HE2 HIS A 142 27.429 2.755 3.910 1.00 33.54 H new ATOM 2215 N HIS A 143 31.244 7.767 6.603 1.00 65.25 N ATOM 2216 CA HIS A 143 32.667 7.768 6.256 1.00 53.42 C ATOM 2217 C HIS A 143 33.199 6.383 5.902 1.00 64.31 C ATOM 2218 O HIS A 143 33.018 5.411 6.640 1.00 24.41 O ATOM 2219 CB HIS A 143 33.512 8.396 7.378 1.00 1.44 C ATOM 2220 CG HIS A 143 33.196 7.909 8.764 1.00 1.42 C ATOM 2221 ND1 HIS A 143 32.664 8.726 9.736 1.00 20.20 N ATOM 2222 CD2 HIS A 143 33.350 6.694 9.344 1.00 13.02 C ATOM 2223 CE1 HIS A 143 32.501 8.038 10.849 1.00 1.31 C ATOM 2224 NE2 HIS A 143 32.909 6.802 10.640 1.00 15.42 N ATOM 0 H HIS A 143 31.028 8.275 7.461 1.00 65.25 H new ATOM 0 HA HIS A 143 32.757 8.380 5.359 1.00 53.42 H new ATOM 0 HB2 HIS A 143 34.564 8.200 7.172 1.00 1.44 H new ATOM 0 HB3 HIS A 143 33.378 9.477 7.350 1.00 1.44 H new ATOM 0 HD2 HIS A 143 33.746 5.806 8.874 1.00 13.02 H new ATOM 0 HE1 HIS A 143 32.101 8.422 11.776 1.00 1.31 H new ATOM 0 HE2 HIS A 143 32.899 6.049 11.328 1.00 15.42 H new ATOM 2233 N HIS A 144 33.847 6.321 4.750 1.00 72.14 N ATOM 2234 CA HIS A 144 34.492 5.113 4.268 1.00 41.14 C ATOM 2235 C HIS A 144 35.998 5.313 4.329 1.00 34.13 C ATOM 2236 O HIS A 144 36.509 6.319 3.832 1.00 52.33 O ATOM 2237 CB HIS A 144 34.040 4.826 2.826 1.00 63.21 C ATOM 2238 CG HIS A 144 34.629 3.586 2.217 1.00 2.21 C ATOM 2239 ND1 HIS A 144 33.979 2.372 2.203 1.00 42.52 N ATOM 2240 CD2 HIS A 144 35.804 3.388 1.574 1.00 4.50 C ATOM 2241 CE1 HIS A 144 34.728 1.480 1.579 1.00 42.13 C ATOM 2242 NE2 HIS A 144 35.841 2.072 1.188 1.00 21.22 N ATOM 0 H HIS A 144 33.940 7.116 4.118 1.00 72.14 H new ATOM 0 HA HIS A 144 34.215 4.260 4.888 1.00 41.14 H new ATOM 0 HB2 HIS A 144 32.953 4.741 2.811 1.00 63.21 H new ATOM 0 HB3 HIS A 144 34.301 5.680 2.201 1.00 63.21 H new ATOM 0 HD2 HIS A 144 36.570 4.129 1.398 1.00 4.50 H new ATOM 0 HE1 HIS A 144 34.473 0.443 1.417 1.00 42.13 H new ATOM 0 HE2 HIS A 144 36.604 1.624 0.681 1.00 21.22 H new ATOM 2251 N HIS A 145 36.706 4.372 4.940 1.00 30.04 N ATOM 2252 CA HIS A 145 38.146 4.500 5.119 1.00 41.52 C ATOM 2253 C HIS A 145 38.847 4.408 3.770 1.00 33.22 C ATOM 2254 O HIS A 145 38.992 3.327 3.201 1.00 22.52 O ATOM 2255 CB HIS A 145 38.668 3.422 6.075 1.00 61.24 C ATOM 2256 CG HIS A 145 40.061 3.669 6.579 1.00 71.14 C ATOM 2257 ND1 HIS A 145 40.326 4.231 7.810 1.00 42.54 N ATOM 2258 CD2 HIS A 145 41.268 3.404 6.024 1.00 35.54 C ATOM 2259 CE1 HIS A 145 41.632 4.309 7.985 1.00 24.30 C ATOM 2260 NE2 HIS A 145 42.229 3.810 6.918 1.00 54.55 N ATOM 0 H HIS A 145 36.307 3.513 5.319 1.00 30.04 H new ATOM 0 HA HIS A 145 38.361 5.474 5.559 1.00 41.52 H new ATOM 0 HB2 HIS A 145 37.993 3.350 6.927 1.00 61.24 H new ATOM 0 HB3 HIS A 145 38.643 2.458 5.566 1.00 61.24 H new ATOM 0 HD2 HIS A 145 41.443 2.956 5.057 1.00 35.54 H new ATOM 0 HE1 HIS A 145 42.129 4.713 8.855 1.00 24.30 H new ATOM 0 HE2 HIS A 145 43.237 3.738 6.780 1.00 54.55 H new ATOM 2269 N HIS A 146 39.255 5.553 3.256 1.00 51.42 N ATOM 2270 CA HIS A 146 39.878 5.620 1.948 1.00 22.31 C ATOM 2271 C HIS A 146 41.383 5.482 2.098 1.00 60.22 C ATOM 2272 O HIS A 146 42.011 6.268 2.811 1.00 11.15 O ATOM 2273 CB HIS A 146 39.531 6.943 1.262 1.00 15.45 C ATOM 2274 CG HIS A 146 39.318 6.829 -0.221 1.00 13.23 C ATOM 2275 ND1 HIS A 146 38.379 7.579 -0.897 1.00 40.12 N ATOM 2276 CD2 HIS A 146 39.927 6.064 -1.160 1.00 31.51 C ATOM 2277 CE1 HIS A 146 38.417 7.278 -2.183 1.00 4.13 C ATOM 2278 NE2 HIS A 146 39.349 6.365 -2.369 1.00 21.24 N ATOM 0 H HIS A 146 39.165 6.453 3.727 1.00 51.42 H new ATOM 0 HA HIS A 146 39.503 4.805 1.329 1.00 22.31 H new ATOM 0 HB2 HIS A 146 38.628 7.350 1.717 1.00 15.45 H new ATOM 0 HB3 HIS A 146 40.332 7.658 1.449 1.00 15.45 H new ATOM 0 HD2 HIS A 146 40.719 5.350 -0.989 1.00 31.51 H new ATOM 0 HE1 HIS A 146 37.791 7.707 -2.951 1.00 4.13 H new ATOM 0 HE2 HIS A 146 39.600 5.949 -3.266 1.00 21.24 H new ATOM 2287 N HIS A 147 41.936 4.463 1.452 1.00 34.34 N ATOM 2288 CA HIS A 147 43.373 4.192 1.479 1.00 65.24 C ATOM 2289 C HIS A 147 43.808 3.770 2.883 1.00 72.41 C ATOM 2290 O HIS A 147 44.436 4.581 3.596 1.00 37.64 O ATOM 2291 CB HIS A 147 44.162 5.423 1.008 1.00 14.33 C ATOM 2292 CG HIS A 147 45.620 5.169 0.774 1.00 61.12 C ATOM 2293 ND1 HIS A 147 46.593 5.419 1.716 1.00 0.04 N ATOM 2294 CD2 HIS A 147 46.269 4.701 -0.315 1.00 72.23 C ATOM 2295 CE1 HIS A 147 47.774 5.119 1.212 1.00 3.42 C ATOM 2296 NE2 HIS A 147 47.608 4.681 -0.021 1.00 20.12 N ATOM 2297 OXT HIS A 147 43.498 2.625 3.276 1.00 37.64 O ATOM 0 H HIS A 147 41.402 3.798 0.893 1.00 34.34 H new ATOM 0 HA HIS A 147 43.586 3.371 0.794 1.00 65.24 H new ATOM 0 HB2 HIS A 147 43.717 5.794 0.085 1.00 14.33 H new ATOM 0 HB3 HIS A 147 44.058 6.213 1.752 1.00 14.33 H new ATOM 0 HD2 HIS A 147 45.816 4.398 -1.247 1.00 72.23 H new ATOM 0 HE1 HIS A 147 48.720 5.216 1.724 1.00 3.42 H new ATOM 0 HE2 HIS A 147 48.351 4.378 -0.650 1.00 20.12 H new TER 2306 HIS A 147