USER MOD reduce.3.24.130724 H: found=0, std=0, add=1228, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1226 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 125 HIS : no HD1:sc= 0.884 K(o=1.3,f=-3.6!) USER MOD Set 1.2: A 130 ASN : amide:sc= 0.395 K(o=1.3,f=-0.037) USER MOD Set 2.1: A 108 TYR OH : rot 165:sc= -0.285 USER MOD Set 2.2: A 153 HIS : no HD1:sc= -0.318 X(o=-0.6,f=-0.29) USER MOD Set 3.1: A 29 SER OG : rot 180:sc= -0.0521 USER MOD Set 3.2: A 30 ASN : amide:sc= -0.483 X(o=-0.53,f=-0.64) USER MOD Set 4.1: A 11 ASN : amide:sc= -0.405 K(o=-3.2,f=-6.2!) USER MOD Set 4.2: A 74 GLN : amide:sc= -2.83! C(o=-3.2!,f=-8.6!) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.15 (180deg=-0.807) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.074 (180deg=-0.0106) USER MOD Single : A 4 TYR OH : rot 161:sc= 0.0108 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -1.77 F(o=-3.8!,f=-1.8) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -120:sc= -0.0766 USER MOD Single : A 32 GLN : amide:sc= -0.855 K(o=-0.85,f=-6.1!) USER MOD Single : A 36 MET CE :methyl -166:sc= -0.362 (180deg=-0.739) USER MOD Single : A 37 ASN : amide:sc=-0.00421 K(o=-0.0042,f=-2.5!) USER MOD Single : A 45 SER OG : rot -22:sc= 0.12 USER MOD Single : A 46 SER OG : rot 79:sc= 0.553 USER MOD Single : A 47 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-7.6!) USER MOD Single : A 55 THR OG1 : rot -41:sc= 0.0282 USER MOD Single : A 58 SER OG : rot 180:sc= 0.483 USER MOD Single : A 68 THR OG1 : rot 118:sc= 0.727 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -7.31! C(o=-8.6!,f=-7.3!) USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00291) USER MOD Single : A 82 ASN : amide:sc= 1.38 K(o=1.4,f=-3.2!) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.03 F(o=-4.5!,f=-1) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.16 F(o=-4.8!,f=-1.2) USER MOD Single : A 94 GLN : amide:sc= 0.0932 K(o=0.093,f=-10!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 MET CE :methyl -150:sc= -2.98 (180deg=-4.69!) USER MOD Single : A 128 SER OG : rot 85:sc= 1.13 USER MOD Single : A 131 TYR OH : rot 180:sc= -0.0108 USER MOD Single : A 136 SER OG : rot 180:sc= 1.03 USER MOD Single : A 143 GLN : amide:sc=-0.00689 K(o=-0.0069,f=-1.5) USER MOD Single : A 144 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.48) USER MOD Single : A 149 SER OG : rot 130:sc= -0.873 USER MOD Single : A 152 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=-0.063) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 155 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 156 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-1.4) USER MOD Single : A 157 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.431 -1.591 24.114 1.00 44.44 N ATOM 2 CA MET A 1 4.128 -1.427 22.809 1.00 40.30 C ATOM 3 C MET A 1 4.362 -2.780 22.126 1.00 71.25 C ATOM 4 O MET A 1 4.196 -3.832 22.742 1.00 5.01 O ATOM 5 CB MET A 1 5.473 -0.710 23.011 1.00 33.14 C ATOM 6 CG MET A 1 6.478 -1.507 23.834 1.00 74.14 C ATOM 7 SD MET A 1 8.085 -0.693 23.957 1.00 71.25 S ATOM 8 CE MET A 1 8.571 -0.616 22.231 1.00 1.53 C ATOM 0 H1 MET A 1 2.437 -1.302 24.015 1.00 44.44 H new ATOM 0 H2 MET A 1 3.474 -2.588 24.408 1.00 44.44 H new ATOM 0 H3 MET A 1 3.894 -0.998 24.832 1.00 44.44 H new ATOM 0 HA MET A 1 3.488 -0.825 22.165 1.00 40.30 H new ATOM 0 HB2 MET A 1 5.908 -0.492 22.036 1.00 33.14 H new ATOM 0 HB3 MET A 1 5.294 0.247 23.501 1.00 33.14 H new ATOM 0 HG2 MET A 1 6.078 -1.663 24.836 1.00 74.14 H new ATOM 0 HG3 MET A 1 6.608 -2.492 23.385 1.00 74.14 H new ATOM 0 HE1 MET A 1 9.631 -0.852 22.141 1.00 1.53 H new ATOM 0 HE2 MET A 1 7.989 -1.337 21.657 1.00 1.53 H new ATOM 0 HE3 MET A 1 8.388 0.387 21.846 1.00 1.53 H new ATOM 20 N ARG A 2 4.760 -2.738 20.856 1.00 41.21 N ATOM 21 CA ARG A 2 5.081 -3.948 20.092 1.00 33.23 C ATOM 22 C ARG A 2 5.713 -3.591 18.739 1.00 40.15 C ATOM 23 O ARG A 2 5.181 -2.768 17.990 1.00 21.30 O ATOM 24 CB ARG A 2 3.826 -4.812 19.870 1.00 2.04 C ATOM 25 CG ARG A 2 4.101 -6.092 19.085 1.00 2.41 C ATOM 26 CD ARG A 2 2.864 -6.975 18.965 1.00 53.42 C ATOM 27 NE ARG A 2 2.430 -7.499 20.258 1.00 31.42 N ATOM 28 CZ ARG A 2 1.715 -8.582 20.408 1.00 10.03 C ATOM 29 NH1 ARG A 2 1.349 -9.284 19.386 1.00 22.42 N ATOM 30 NH2 ARG A 2 1.370 -8.966 21.590 1.00 11.13 N ATOM 0 H ARG A 2 4.869 -1.872 20.328 1.00 41.21 H new ATOM 0 HA ARG A 2 5.801 -4.522 20.675 1.00 33.23 H new ATOM 0 HB2 ARG A 2 3.398 -5.073 20.838 1.00 2.04 H new ATOM 0 HB3 ARG A 2 3.078 -4.223 19.339 1.00 2.04 H new ATOM 0 HG2 ARG A 2 4.459 -5.834 18.088 1.00 2.41 H new ATOM 0 HG3 ARG A 2 4.898 -6.652 19.575 1.00 2.41 H new ATOM 0 HD2 ARG A 2 2.053 -6.401 18.517 1.00 53.42 H new ATOM 0 HD3 ARG A 2 3.077 -7.805 18.292 1.00 53.42 H new ATOM 0 HE ARG A 2 2.703 -6.987 21.097 1.00 31.42 H new ATOM 0 HH11 ARG A 2 1.618 -8.995 18.446 1.00 22.42 H new ATOM 0 HH12 ARG A 2 0.791 -10.127 19.520 1.00 22.42 H new ATOM 0 HH21 ARG A 2 1.655 -8.424 22.406 1.00 11.13 H new ATOM 0 HH22 ARG A 2 0.812 -9.811 21.709 1.00 11.13 H new ATOM 44 N VAL A 3 6.850 -4.211 18.432 1.00 71.21 N ATOM 45 CA VAL A 3 7.558 -3.964 17.171 1.00 51.42 C ATOM 46 C VAL A 3 7.343 -5.109 16.168 1.00 31.21 C ATOM 47 O VAL A 3 7.608 -6.277 16.468 1.00 32.24 O ATOM 48 CB VAL A 3 9.079 -3.772 17.415 1.00 71.04 C ATOM 49 CG1 VAL A 3 9.838 -3.623 16.095 1.00 14.12 C ATOM 50 CG2 VAL A 3 9.329 -2.569 18.327 1.00 32.43 C ATOM 0 H VAL A 3 7.305 -4.892 19.040 1.00 71.21 H new ATOM 0 HA VAL A 3 7.144 -3.049 16.749 1.00 51.42 H new ATOM 0 HB VAL A 3 9.456 -4.665 17.913 1.00 71.04 H new ATOM 0 HG11 VAL A 3 10.900 -3.490 16.299 1.00 14.12 H new ATOM 0 HG12 VAL A 3 9.694 -4.518 15.489 1.00 14.12 H new ATOM 0 HG13 VAL A 3 9.461 -2.755 15.555 1.00 14.12 H new ATOM 0 HG21 VAL A 3 10.401 -2.450 18.487 1.00 32.43 H new ATOM 0 HG22 VAL A 3 8.930 -1.669 17.860 1.00 32.43 H new ATOM 0 HG23 VAL A 3 8.835 -2.730 19.285 1.00 32.43 H new ATOM 60 N TYR A 4 6.852 -4.764 14.980 1.00 40.41 N ATOM 61 CA TYR A 4 6.655 -5.735 13.902 1.00 4.11 C ATOM 62 C TYR A 4 7.804 -5.689 12.890 1.00 73.13 C ATOM 63 O TYR A 4 7.989 -4.695 12.190 1.00 75.31 O ATOM 64 CB TYR A 4 5.328 -5.468 13.172 1.00 33.13 C ATOM 65 CG TYR A 4 4.097 -5.937 13.921 1.00 42.34 C ATOM 66 CD1 TYR A 4 3.647 -5.277 15.060 1.00 33.32 C ATOM 67 CD2 TYR A 4 3.376 -7.040 13.476 1.00 5.34 C ATOM 68 CE1 TYR A 4 2.516 -5.705 15.730 1.00 41.22 C ATOM 69 CE2 TYR A 4 2.248 -7.471 14.142 1.00 3.21 C ATOM 70 CZ TYR A 4 1.821 -6.802 15.268 1.00 54.45 C ATOM 71 OH TYR A 4 0.688 -7.225 15.929 1.00 44.30 O ATOM 0 H TYR A 4 6.581 -3.811 14.737 1.00 40.41 H new ATOM 0 HA TYR A 4 6.630 -6.725 14.358 1.00 4.11 H new ATOM 0 HB2 TYR A 4 5.239 -4.398 12.985 1.00 33.13 H new ATOM 0 HB3 TYR A 4 5.357 -5.960 12.200 1.00 33.13 H new ATOM 0 HD1 TYR A 4 4.189 -4.418 15.426 1.00 33.32 H new ATOM 0 HD2 TYR A 4 3.705 -7.568 12.593 1.00 5.34 H new ATOM 0 HE1 TYR A 4 2.178 -5.182 16.612 1.00 41.22 H new ATOM 0 HE2 TYR A 4 1.701 -8.330 13.782 1.00 3.21 H new ATOM 0 HH TYR A 4 0.155 -7.793 15.334 1.00 44.30 H new ATOM 81 N LYS A 5 8.584 -6.762 12.826 1.00 30.50 N ATOM 82 CA LYS A 5 9.592 -6.912 11.777 1.00 12.01 C ATOM 83 C LYS A 5 9.010 -7.748 10.619 1.00 22.13 C ATOM 84 O LYS A 5 7.933 -8.328 10.761 1.00 70.31 O ATOM 85 CB LYS A 5 10.870 -7.573 12.335 1.00 3.40 C ATOM 86 CG LYS A 5 11.548 -6.796 13.470 1.00 4.43 C ATOM 87 CD LYS A 5 11.088 -7.267 14.850 1.00 44.01 C ATOM 88 CE LYS A 5 11.495 -8.716 15.110 1.00 21.50 C ATOM 89 NZ LYS A 5 11.019 -9.202 16.431 1.00 54.43 N ATOM 0 H LYS A 5 8.540 -7.540 13.484 1.00 30.50 H new ATOM 0 HA LYS A 5 9.863 -5.924 11.404 1.00 12.01 H new ATOM 0 HB2 LYS A 5 10.620 -8.571 12.695 1.00 3.40 H new ATOM 0 HB3 LYS A 5 11.584 -7.698 11.521 1.00 3.40 H new ATOM 0 HG2 LYS A 5 12.629 -6.911 13.391 1.00 4.43 H new ATOM 0 HG3 LYS A 5 11.331 -5.733 13.360 1.00 4.43 H new ATOM 0 HD2 LYS A 5 11.518 -6.624 15.618 1.00 44.01 H new ATOM 0 HD3 LYS A 5 10.005 -7.173 14.926 1.00 44.01 H new ATOM 0 HE2 LYS A 5 11.091 -9.352 14.323 1.00 21.50 H new ATOM 0 HE3 LYS A 5 12.581 -8.801 15.063 1.00 21.50 H new ATOM 0 HZ1 LYS A 5 11.317 -10.189 16.566 1.00 54.43 H new ATOM 0 HZ2 LYS A 5 11.425 -8.612 17.185 1.00 54.43 H new ATOM 0 HZ3 LYS A 5 9.981 -9.146 16.468 1.00 54.43 H new ATOM 103 N PRO A 6 9.689 -7.822 9.450 1.00 12.20 N ATOM 104 CA PRO A 6 9.207 -8.628 8.309 1.00 44.35 C ATOM 105 C PRO A 6 8.855 -10.080 8.696 1.00 13.35 C ATOM 106 O PRO A 6 8.052 -10.735 8.033 1.00 10.31 O ATOM 107 CB PRO A 6 10.385 -8.596 7.313 1.00 53.23 C ATOM 108 CG PRO A 6 11.541 -8.022 8.070 1.00 33.41 C ATOM 109 CD PRO A 6 10.947 -7.131 9.122 1.00 34.34 C ATOM 0 HA PRO A 6 8.279 -8.225 7.903 1.00 44.35 H new ATOM 0 HB2 PRO A 6 10.615 -9.597 6.947 1.00 53.23 H new ATOM 0 HB3 PRO A 6 10.145 -7.985 6.443 1.00 53.23 H new ATOM 0 HG2 PRO A 6 12.142 -8.811 8.521 1.00 33.41 H new ATOM 0 HG3 PRO A 6 12.199 -7.459 7.408 1.00 33.41 H new ATOM 0 HD2 PRO A 6 11.598 -7.039 9.991 1.00 34.34 H new ATOM 0 HD3 PRO A 6 10.771 -6.123 8.748 1.00 34.34 H new ATOM 117 N GLU A 7 9.461 -10.569 9.778 1.00 42.30 N ATOM 118 CA GLU A 7 9.191 -11.923 10.280 1.00 44.23 C ATOM 119 C GLU A 7 7.921 -11.972 11.150 1.00 2.50 C ATOM 120 O GLU A 7 7.334 -13.038 11.350 1.00 15.12 O ATOM 121 CB GLU A 7 10.400 -12.432 11.071 1.00 13.20 C ATOM 122 CG GLU A 7 10.759 -11.570 12.275 1.00 4.10 C ATOM 123 CD GLU A 7 12.077 -11.980 12.906 1.00 20.52 C ATOM 124 OE1 GLU A 7 12.103 -12.996 13.632 1.00 42.01 O ATOM 125 OE2 GLU A 7 13.095 -11.297 12.669 1.00 2.44 O ATOM 0 H GLU A 7 10.145 -10.048 10.327 1.00 42.30 H new ATOM 0 HA GLU A 7 9.018 -12.571 9.421 1.00 44.23 H new ATOM 0 HB2 GLU A 7 10.197 -13.447 11.411 1.00 13.20 H new ATOM 0 HB3 GLU A 7 11.261 -12.485 10.405 1.00 13.20 H new ATOM 0 HG2 GLU A 7 10.816 -10.526 11.967 1.00 4.10 H new ATOM 0 HG3 GLU A 7 9.965 -11.641 13.019 1.00 4.10 H new ATOM 132 N ASP A 8 7.511 -10.822 11.685 1.00 62.15 N ATOM 133 CA ASP A 8 6.259 -10.719 12.447 1.00 43.14 C ATOM 134 C ASP A 8 5.058 -10.546 11.509 1.00 0.34 C ATOM 135 O ASP A 8 3.936 -10.925 11.843 1.00 21.12 O ATOM 136 CB ASP A 8 6.322 -9.541 13.425 1.00 11.45 C ATOM 137 CG ASP A 8 7.381 -9.730 14.494 1.00 22.35 C ATOM 138 OD1 ASP A 8 7.066 -10.305 15.559 1.00 64.54 O ATOM 139 OD2 ASP A 8 8.531 -9.308 14.280 1.00 21.53 O ATOM 0 H ASP A 8 8.026 -9.945 11.606 1.00 62.15 H new ATOM 0 HA ASP A 8 6.133 -11.645 13.008 1.00 43.14 H new ATOM 0 HB2 ASP A 8 6.528 -8.624 12.872 1.00 11.45 H new ATOM 0 HB3 ASP A 8 5.349 -9.415 13.900 1.00 11.45 H new ATOM 144 N VAL A 9 5.307 -9.961 10.342 1.00 31.41 N ATOM 145 CA VAL A 9 4.261 -9.743 9.342 1.00 15.15 C ATOM 146 C VAL A 9 3.925 -11.044 8.595 1.00 14.21 C ATOM 147 O VAL A 9 4.798 -11.645 7.967 1.00 21.12 O ATOM 148 CB VAL A 9 4.691 -8.668 8.314 1.00 21.50 C ATOM 149 CG1 VAL A 9 3.548 -8.337 7.356 1.00 62.32 C ATOM 150 CG2 VAL A 9 5.193 -7.412 9.023 1.00 53.33 C ATOM 0 H VAL A 9 6.229 -9.627 10.062 1.00 31.41 H new ATOM 0 HA VAL A 9 3.375 -9.399 9.876 1.00 15.15 H new ATOM 0 HB VAL A 9 5.512 -9.074 7.724 1.00 21.50 H new ATOM 0 HG11 VAL A 9 3.877 -7.579 6.645 1.00 62.32 H new ATOM 0 HG12 VAL A 9 3.253 -9.237 6.817 1.00 62.32 H new ATOM 0 HG13 VAL A 9 2.697 -7.958 7.922 1.00 62.32 H new ATOM 0 HG21 VAL A 9 5.490 -6.670 8.282 1.00 53.33 H new ATOM 0 HG22 VAL A 9 4.398 -7.004 9.647 1.00 53.33 H new ATOM 0 HG23 VAL A 9 6.050 -7.665 9.647 1.00 53.33 H new ATOM 160 N PRO A 10 2.655 -11.501 8.654 1.00 31.14 N ATOM 161 CA PRO A 10 2.223 -12.724 7.951 1.00 14.14 C ATOM 162 C PRO A 10 2.366 -12.608 6.421 1.00 11.21 C ATOM 163 O PRO A 10 1.872 -11.659 5.806 1.00 31.21 O ATOM 164 CB PRO A 10 0.743 -12.868 8.353 1.00 21.40 C ATOM 165 CG PRO A 10 0.326 -11.507 8.801 1.00 52.51 C ATOM 166 CD PRO A 10 1.552 -10.879 9.410 1.00 50.44 C ATOM 0 HA PRO A 10 2.834 -13.585 8.222 1.00 14.14 H new ATOM 0 HB2 PRO A 10 0.138 -13.209 7.513 1.00 21.40 H new ATOM 0 HB3 PRO A 10 0.621 -13.600 9.151 1.00 21.40 H new ATOM 0 HG2 PRO A 10 -0.040 -10.915 7.962 1.00 52.51 H new ATOM 0 HG3 PRO A 10 -0.484 -11.566 9.528 1.00 52.51 H new ATOM 0 HD2 PRO A 10 1.548 -9.795 9.298 1.00 50.44 H new ATOM 0 HD3 PRO A 10 1.625 -11.089 10.477 1.00 50.44 H new ATOM 174 N ASN A 11 3.039 -13.583 5.809 1.00 3.50 N ATOM 175 CA ASN A 11 3.276 -13.573 4.362 1.00 24.21 C ATOM 176 C ASN A 11 1.990 -13.883 3.579 1.00 74.02 C ATOM 177 O ASN A 11 1.820 -14.981 3.042 1.00 24.30 O ATOM 178 CB ASN A 11 4.378 -14.578 3.995 1.00 40.44 C ATOM 179 CG ASN A 11 5.700 -14.275 4.681 1.00 41.31 C ATOM 180 OD1 ASN A 11 5.737 -13.736 5.777 1.00 3.14 O ATOM 181 ND2 ASN A 11 6.801 -14.618 4.043 1.00 62.44 N ATOM 0 H ASN A 11 3.431 -14.391 6.292 1.00 3.50 H new ATOM 0 HA ASN A 11 3.602 -12.571 4.085 1.00 24.21 H new ATOM 0 HB2 ASN A 11 4.054 -15.582 4.268 1.00 40.44 H new ATOM 0 HB3 ASN A 11 4.524 -14.572 2.915 1.00 40.44 H new ATOM 0 HD21 ASN A 11 7.712 -14.435 4.463 1.00 62.44 H new ATOM 0 HD22 ASN A 11 6.742 -15.067 3.129 1.00 62.44 H new ATOM 188 N VAL A 12 1.089 -12.904 3.511 1.00 33.30 N ATOM 189 CA VAL A 12 -0.212 -13.088 2.851 1.00 1.41 C ATOM 190 C VAL A 12 -0.070 -13.515 1.379 1.00 31.23 C ATOM 191 O VAL A 12 -0.788 -14.392 0.915 1.00 1.33 O ATOM 192 CB VAL A 12 -1.094 -11.814 2.943 1.00 25.51 C ATOM 193 CG1 VAL A 12 -1.398 -11.475 4.401 1.00 71.40 C ATOM 194 CG2 VAL A 12 -0.437 -10.627 2.234 1.00 33.55 C ATOM 0 H VAL A 12 1.232 -11.973 3.904 1.00 33.30 H new ATOM 0 HA VAL A 12 -0.706 -13.895 3.392 1.00 1.41 H new ATOM 0 HB VAL A 12 -2.035 -12.022 2.434 1.00 25.51 H new ATOM 0 HG11 VAL A 12 -2.017 -10.579 4.445 1.00 71.40 H new ATOM 0 HG12 VAL A 12 -1.929 -12.306 4.865 1.00 71.40 H new ATOM 0 HG13 VAL A 12 -0.465 -11.297 4.935 1.00 71.40 H new ATOM 0 HG21 VAL A 12 -1.081 -9.751 2.318 1.00 33.55 H new ATOM 0 HG22 VAL A 12 0.526 -10.414 2.697 1.00 33.55 H new ATOM 0 HG23 VAL A 12 -0.288 -10.869 1.182 1.00 33.55 H new ATOM 204 N GLN A 13 0.873 -12.913 0.652 1.00 62.32 N ATOM 205 CA GLN A 13 1.090 -13.253 -0.766 1.00 50.41 C ATOM 206 C GLN A 13 1.822 -14.592 -0.943 1.00 23.11 C ATOM 207 O GLN A 13 2.004 -15.072 -2.063 1.00 15.34 O ATOM 208 CB GLN A 13 1.853 -12.123 -1.469 1.00 63.43 C ATOM 209 CG GLN A 13 0.994 -10.894 -1.736 1.00 11.10 C ATOM 210 CD GLN A 13 -0.197 -11.216 -2.624 1.00 11.25 C ATOM 211 OE1 GLN A 13 -1.316 -11.586 -2.024 1.00 13.24 O flip ATOM 212 NE2 GLN A 13 -0.115 -11.140 -3.842 1.00 73.43 N flip ATOM 0 H GLN A 13 1.497 -12.192 1.013 1.00 62.32 H new ATOM 0 HA GLN A 13 0.109 -13.367 -1.227 1.00 50.41 H new ATOM 0 HB2 GLN A 13 2.708 -11.835 -0.857 1.00 63.43 H new ATOM 0 HB3 GLN A 13 2.249 -12.494 -2.414 1.00 63.43 H new ATOM 0 HG2 GLN A 13 0.641 -10.485 -0.789 1.00 11.10 H new ATOM 0 HG3 GLN A 13 1.601 -10.123 -2.209 1.00 11.10 H new ATOM 0 HE21 GLN A 13 0.761 -10.852 -4.277 1.00 73.43 H new ATOM 0 HE22 GLN A 13 -0.923 -11.365 -4.423 1.00 73.43 H new ATOM 221 N LEU A 14 2.240 -15.186 0.166 1.00 70.53 N ATOM 222 CA LEU A 14 2.867 -16.508 0.153 1.00 21.14 C ATOM 223 C LEU A 14 1.863 -17.578 0.621 1.00 3.23 C ATOM 224 O LEU A 14 1.887 -18.720 0.159 1.00 70.02 O ATOM 225 CB LEU A 14 4.124 -16.478 1.046 1.00 12.41 C ATOM 226 CG LEU A 14 5.018 -17.737 1.032 1.00 53.43 C ATOM 227 CD1 LEU A 14 6.453 -17.375 1.403 1.00 65.43 C ATOM 228 CD2 LEU A 14 4.489 -18.801 1.996 1.00 73.40 C ATOM 0 H LEU A 14 2.157 -14.773 1.095 1.00 70.53 H new ATOM 0 HA LEU A 14 3.169 -16.768 -0.862 1.00 21.14 H new ATOM 0 HB2 LEU A 14 4.733 -15.625 0.746 1.00 12.41 H new ATOM 0 HB3 LEU A 14 3.807 -16.298 2.073 1.00 12.41 H new ATOM 0 HG LEU A 14 5.000 -18.146 0.022 1.00 53.43 H new ATOM 0 HD11 LEU A 14 7.070 -18.273 1.389 1.00 65.43 H new ATOM 0 HD12 LEU A 14 6.844 -16.655 0.684 1.00 65.43 H new ATOM 0 HD13 LEU A 14 6.472 -16.938 2.401 1.00 65.43 H new ATOM 0 HD21 LEU A 14 5.139 -19.676 1.965 1.00 73.40 H new ATOM 0 HD22 LEU A 14 4.472 -18.398 3.009 1.00 73.40 H new ATOM 0 HD23 LEU A 14 3.479 -19.088 1.702 1.00 73.40 H new ATOM 240 N ALA A 15 0.968 -17.187 1.526 1.00 13.45 N ATOM 241 CA ALA A 15 -0.035 -18.103 2.087 1.00 13.01 C ATOM 242 C ALA A 15 -1.413 -17.957 1.410 1.00 55.33 C ATOM 243 O ALA A 15 -1.927 -18.905 0.815 1.00 20.31 O ATOM 244 CB ALA A 15 -0.160 -17.873 3.589 1.00 54.13 C ATOM 0 H ALA A 15 0.914 -16.236 1.891 1.00 13.45 H new ATOM 0 HA ALA A 15 0.308 -19.120 1.895 1.00 13.01 H new ATOM 0 HB1 ALA A 15 -0.905 -18.554 4.001 1.00 54.13 H new ATOM 0 HB2 ALA A 15 0.803 -18.056 4.066 1.00 54.13 H new ATOM 0 HB3 ALA A 15 -0.467 -16.844 3.775 1.00 54.13 H new ATOM 250 N ASP A 16 -2.007 -16.768 1.510 1.00 1.41 N ATOM 251 CA ASP A 16 -3.361 -16.524 0.992 1.00 42.14 C ATOM 252 C ASP A 16 -3.376 -16.289 -0.530 1.00 41.00 C ATOM 253 O ASP A 16 -4.138 -16.927 -1.255 1.00 12.53 O ATOM 254 CB ASP A 16 -3.980 -15.316 1.699 1.00 33.31 C ATOM 255 CG ASP A 16 -4.046 -15.497 3.202 1.00 11.33 C ATOM 256 OD1 ASP A 16 -4.864 -16.312 3.670 1.00 73.30 O ATOM 257 OD2 ASP A 16 -3.292 -14.816 3.924 1.00 73.40 O ATOM 0 H ASP A 16 -1.574 -15.954 1.946 1.00 1.41 H new ATOM 0 HA ASP A 16 -3.947 -17.421 1.193 1.00 42.14 H new ATOM 0 HB2 ASP A 16 -3.396 -14.425 1.468 1.00 33.31 H new ATOM 0 HB3 ASP A 16 -4.985 -15.147 1.312 1.00 33.31 H new ATOM 262 N SER A 17 -2.544 -15.351 -0.991 1.00 1.22 N ATOM 263 CA SER A 17 -2.481 -14.938 -2.409 1.00 44.12 C ATOM 264 C SER A 17 -3.732 -14.158 -2.839 1.00 35.12 C ATOM 265 O SER A 17 -3.635 -12.992 -3.233 1.00 71.15 O ATOM 266 CB SER A 17 -2.262 -16.135 -3.347 1.00 12.32 C ATOM 267 OG SER A 17 -2.292 -15.735 -4.709 1.00 51.42 O ATOM 0 H SER A 17 -1.888 -14.849 -0.392 1.00 1.22 H new ATOM 0 HA SER A 17 -1.620 -14.275 -2.492 1.00 44.12 H new ATOM 0 HB2 SER A 17 -1.303 -16.604 -3.124 1.00 12.32 H new ATOM 0 HB3 SER A 17 -3.033 -16.885 -3.169 1.00 12.32 H new ATOM 0 HG SER A 17 -2.148 -16.516 -5.283 1.00 51.42 H new ATOM 273 N THR A 18 -4.903 -14.798 -2.773 1.00 10.13 N ATOM 274 CA THR A 18 -6.169 -14.129 -3.117 1.00 74.15 C ATOM 275 C THR A 18 -6.414 -12.917 -2.211 1.00 61.35 C ATOM 276 O THR A 18 -7.016 -11.927 -2.628 1.00 51.32 O ATOM 277 CB THR A 18 -7.387 -15.076 -3.022 1.00 53.32 C ATOM 278 OG1 THR A 18 -7.628 -15.446 -1.656 1.00 52.53 O ATOM 279 CG2 THR A 18 -7.176 -16.331 -3.859 1.00 1.01 C ATOM 0 H THR A 18 -5.005 -15.772 -2.487 1.00 10.13 H new ATOM 0 HA THR A 18 -6.066 -13.806 -4.153 1.00 74.15 H new ATOM 0 HB THR A 18 -8.253 -14.541 -3.411 1.00 53.32 H new ATOM 0 HG1 THR A 18 -8.403 -16.044 -1.611 1.00 52.53 H new ATOM 0 HG21 THR A 18 -8.049 -16.977 -3.772 1.00 1.01 H new ATOM 0 HG22 THR A 18 -7.033 -16.052 -4.903 1.00 1.01 H new ATOM 0 HG23 THR A 18 -6.294 -16.863 -3.502 1.00 1.01 H new ATOM 287 N ARG A 19 -5.963 -13.008 -0.959 1.00 54.34 N ATOM 288 CA ARG A 19 -5.925 -11.846 -0.069 1.00 55.25 C ATOM 289 C ARG A 19 -4.563 -11.156 -0.167 1.00 31.52 C ATOM 290 O ARG A 19 -3.550 -11.690 0.288 1.00 40.42 O ATOM 291 CB ARG A 19 -6.171 -12.231 1.395 1.00 35.33 C ATOM 292 CG ARG A 19 -7.512 -12.901 1.670 1.00 21.43 C ATOM 293 CD ARG A 19 -7.789 -12.969 3.170 1.00 40.41 C ATOM 294 NE ARG A 19 -6.610 -13.401 3.923 1.00 50.55 N ATOM 295 CZ ARG A 19 -6.601 -13.659 5.203 1.00 23.45 C ATOM 296 NH1 ARG A 19 -7.663 -13.485 5.922 1.00 41.55 N ATOM 297 NH2 ARG A 19 -5.516 -14.077 5.767 1.00 53.34 N ATOM 0 H ARG A 19 -5.620 -13.872 -0.539 1.00 54.34 H new ATOM 0 HA ARG A 19 -6.722 -11.174 -0.389 1.00 55.25 H new ATOM 0 HB2 ARG A 19 -5.374 -12.902 1.717 1.00 35.33 H new ATOM 0 HB3 ARG A 19 -6.099 -11.333 2.008 1.00 35.33 H new ATOM 0 HG2 ARG A 19 -8.309 -12.347 1.174 1.00 21.43 H new ATOM 0 HG3 ARG A 19 -7.514 -13.907 1.250 1.00 21.43 H new ATOM 0 HD2 ARG A 19 -8.108 -11.989 3.525 1.00 40.41 H new ATOM 0 HD3 ARG A 19 -8.612 -13.659 3.356 1.00 40.41 H new ATOM 0 HE ARG A 19 -5.734 -13.508 3.412 1.00 50.55 H new ATOM 0 HH11 ARG A 19 -8.521 -13.142 5.490 1.00 41.55 H new ATOM 0 HH12 ARG A 19 -7.642 -13.691 6.921 1.00 41.55 H new ATOM 0 HH21 ARG A 19 -4.669 -14.205 5.212 1.00 53.34 H new ATOM 0 HH22 ARG A 19 -5.506 -14.279 6.767 1.00 53.34 H new ATOM 311 N LEU A 20 -4.536 -9.981 -0.772 1.00 42.33 N ATOM 312 CA LEU A 20 -3.304 -9.199 -0.865 1.00 14.32 C ATOM 313 C LEU A 20 -3.256 -8.141 0.249 1.00 62.20 C ATOM 314 O LEU A 20 -2.447 -7.218 0.221 1.00 32.33 O ATOM 315 CB LEU A 20 -3.184 -8.557 -2.257 1.00 23.34 C ATOM 316 CG LEU A 20 -3.330 -9.541 -3.440 1.00 11.15 C ATOM 317 CD1 LEU A 20 -4.797 -9.735 -3.821 1.00 14.44 C ATOM 318 CD2 LEU A 20 -2.506 -9.094 -4.646 1.00 55.41 C ATOM 0 H LEU A 20 -5.348 -9.544 -1.207 1.00 42.33 H new ATOM 0 HA LEU A 20 -2.451 -9.863 -0.729 1.00 14.32 H new ATOM 0 HB2 LEU A 20 -3.945 -7.782 -2.351 1.00 23.34 H new ATOM 0 HB3 LEU A 20 -2.215 -8.063 -2.331 1.00 23.34 H new ATOM 0 HG LEU A 20 -2.939 -10.504 -3.112 1.00 11.15 H new ATOM 0 HD11 LEU A 20 -4.867 -10.432 -4.656 1.00 14.44 H new ATOM 0 HD12 LEU A 20 -5.345 -10.135 -2.968 1.00 14.44 H new ATOM 0 HD13 LEU A 20 -5.227 -8.777 -4.112 1.00 14.44 H new ATOM 0 HD21 LEU A 20 -2.633 -9.809 -5.459 1.00 55.41 H new ATOM 0 HD22 LEU A 20 -2.843 -8.110 -4.973 1.00 55.41 H new ATOM 0 HD23 LEU A 20 -1.453 -9.043 -4.369 1.00 55.41 H new ATOM 330 N VAL A 21 -4.126 -8.315 1.245 1.00 14.21 N ATOM 331 CA VAL A 21 -4.223 -7.407 2.394 1.00 44.44 C ATOM 332 C VAL A 21 -3.629 -8.033 3.669 1.00 72.54 C ATOM 333 O VAL A 21 -3.860 -9.204 3.966 1.00 45.51 O ATOM 334 CB VAL A 21 -5.703 -7.027 2.662 1.00 74.25 C ATOM 335 CG1 VAL A 21 -5.857 -6.267 3.978 1.00 12.42 C ATOM 336 CG2 VAL A 21 -6.267 -6.219 1.496 1.00 23.23 C ATOM 0 H VAL A 21 -4.786 -9.092 1.280 1.00 14.21 H new ATOM 0 HA VAL A 21 -3.649 -6.515 2.145 1.00 44.44 H new ATOM 0 HB VAL A 21 -6.275 -7.951 2.751 1.00 74.25 H new ATOM 0 HG11 VAL A 21 -6.907 -6.017 4.133 1.00 12.42 H new ATOM 0 HG12 VAL A 21 -5.507 -6.890 4.801 1.00 12.42 H new ATOM 0 HG13 VAL A 21 -5.268 -5.351 3.940 1.00 12.42 H new ATOM 0 HG21 VAL A 21 -7.306 -5.961 1.701 1.00 23.23 H new ATOM 0 HG22 VAL A 21 -5.685 -5.306 1.370 1.00 23.23 H new ATOM 0 HG23 VAL A 21 -6.214 -6.812 0.583 1.00 23.23 H new ATOM 346 N THR A 22 -2.870 -7.238 4.422 1.00 21.21 N ATOM 347 CA THR A 22 -2.306 -7.675 5.708 1.00 53.34 C ATOM 348 C THR A 22 -2.807 -6.783 6.852 1.00 24.02 C ATOM 349 O THR A 22 -2.345 -5.650 7.022 1.00 31.43 O ATOM 350 CB THR A 22 -0.758 -7.646 5.694 1.00 10.41 C ATOM 351 OG1 THR A 22 -0.258 -8.384 4.570 1.00 23.04 O ATOM 352 CG2 THR A 22 -0.184 -8.233 6.982 1.00 13.11 C ATOM 0 H THR A 22 -2.628 -6.281 4.165 1.00 21.21 H new ATOM 0 HA THR A 22 -2.638 -8.701 5.866 1.00 53.34 H new ATOM 0 HB THR A 22 -0.445 -6.605 5.616 1.00 10.41 H new ATOM 0 HG1 THR A 22 0.307 -9.120 4.887 1.00 23.04 H new ATOM 0 HG21 THR A 22 0.905 -8.199 6.944 1.00 13.11 H new ATOM 0 HG22 THR A 22 -0.535 -7.652 7.835 1.00 13.11 H new ATOM 0 HG23 THR A 22 -0.512 -9.267 7.088 1.00 13.11 H new ATOM 360 N ASP A 23 -3.759 -7.290 7.630 1.00 41.35 N ATOM 361 CA ASP A 23 -4.365 -6.513 8.717 1.00 51.50 C ATOM 362 C ASP A 23 -3.785 -6.881 10.098 1.00 0.11 C ATOM 363 O ASP A 23 -4.158 -7.886 10.700 1.00 43.02 O ATOM 364 CB ASP A 23 -5.892 -6.684 8.699 1.00 73.23 C ATOM 365 CG ASP A 23 -6.333 -8.142 8.703 1.00 14.32 C ATOM 366 OD1 ASP A 23 -6.129 -8.834 7.682 1.00 1.44 O ATOM 367 OD2 ASP A 23 -6.905 -8.599 9.717 1.00 13.24 O ATOM 0 H ASP A 23 -4.130 -8.235 7.531 1.00 41.35 H new ATOM 0 HA ASP A 23 -4.121 -5.464 8.547 1.00 51.50 H new ATOM 0 HB2 ASP A 23 -6.318 -6.180 9.567 1.00 73.23 H new ATOM 0 HB3 ASP A 23 -6.296 -6.191 7.814 1.00 73.23 H new ATOM 372 N GLU A 24 -2.850 -6.058 10.580 1.00 64.22 N ATOM 373 CA GLU A 24 -2.286 -6.219 11.931 1.00 74.03 C ATOM 374 C GLU A 24 -2.571 -4.986 12.805 1.00 35.23 C ATOM 375 O GLU A 24 -2.916 -5.113 13.980 1.00 15.40 O ATOM 376 CB GLU A 24 -0.772 -6.473 11.861 1.00 65.44 C ATOM 377 CG GLU A 24 -0.391 -7.862 11.347 1.00 62.30 C ATOM 378 CD GLU A 24 -0.891 -8.980 12.250 1.00 41.55 C ATOM 379 OE1 GLU A 24 -0.505 -9.010 13.437 1.00 61.23 O ATOM 380 OE2 GLU A 24 -1.685 -9.825 11.786 1.00 72.34 O ATOM 0 H GLU A 24 -2.465 -5.271 10.057 1.00 64.22 H new ATOM 0 HA GLU A 24 -2.769 -7.083 12.388 1.00 74.03 H new ATOM 0 HB2 GLU A 24 -0.319 -5.722 11.214 1.00 65.44 H new ATOM 0 HB3 GLU A 24 -0.346 -6.337 12.855 1.00 65.44 H new ATOM 0 HG2 GLU A 24 -0.800 -7.999 10.346 1.00 62.30 H new ATOM 0 HG3 GLU A 24 0.694 -7.928 11.260 1.00 62.30 H new ATOM 387 N ALA A 25 -2.401 -3.796 12.229 1.00 64.21 N ATOM 388 CA ALA A 25 -2.683 -2.533 12.933 1.00 1.21 C ATOM 389 C ALA A 25 -4.161 -2.381 13.343 1.00 44.15 C ATOM 390 O ALA A 25 -4.476 -1.642 14.279 1.00 0.14 O ATOM 391 CB ALA A 25 -2.270 -1.352 12.066 1.00 22.33 C ATOM 0 H ALA A 25 -2.068 -3.674 11.273 1.00 64.21 H new ATOM 0 HA ALA A 25 -2.099 -2.553 13.853 1.00 1.21 H new ATOM 0 HB1 ALA A 25 -2.482 -0.422 12.593 1.00 22.33 H new ATOM 0 HB2 ALA A 25 -1.203 -1.413 11.852 1.00 22.33 H new ATOM 0 HB3 ALA A 25 -2.829 -1.374 11.131 1.00 22.33 H new ATOM 397 N GLY A 26 -5.064 -3.059 12.639 1.00 34.23 N ATOM 398 CA GLY A 26 -6.494 -2.923 12.926 1.00 31.53 C ATOM 399 C GLY A 26 -7.105 -1.638 12.368 1.00 32.10 C ATOM 400 O GLY A 26 -8.251 -1.304 12.667 1.00 71.52 O ATOM 0 H GLY A 26 -4.839 -3.699 11.877 1.00 34.23 H new ATOM 0 HA2 GLY A 26 -7.024 -3.779 12.509 1.00 31.53 H new ATOM 0 HA3 GLY A 26 -6.645 -2.949 14.005 1.00 31.53 H new ATOM 404 N LEU A 27 -6.340 -0.922 11.545 1.00 12.31 N ATOM 405 CA LEU A 27 -6.796 0.344 10.953 1.00 70.12 C ATOM 406 C LEU A 27 -7.794 0.109 9.807 1.00 5.32 C ATOM 407 O LEU A 27 -8.480 1.032 9.364 1.00 2.34 O ATOM 408 CB LEU A 27 -5.586 1.144 10.453 1.00 11.05 C ATOM 409 CG LEU A 27 -4.562 1.513 11.540 1.00 52.32 C ATOM 410 CD1 LEU A 27 -3.330 2.166 10.925 1.00 73.30 C ATOM 411 CD2 LEU A 27 -5.195 2.428 12.590 1.00 15.40 C ATOM 0 H LEU A 27 -5.397 -1.195 11.269 1.00 12.31 H new ATOM 0 HA LEU A 27 -7.315 0.913 11.725 1.00 70.12 H new ATOM 0 HB2 LEU A 27 -5.081 0.566 9.679 1.00 11.05 H new ATOM 0 HB3 LEU A 27 -5.943 2.061 9.984 1.00 11.05 H new ATOM 0 HG LEU A 27 -4.246 0.595 12.035 1.00 52.32 H new ATOM 0 HD11 LEU A 27 -2.620 2.418 11.713 1.00 73.30 H new ATOM 0 HD12 LEU A 27 -2.863 1.474 10.224 1.00 73.30 H new ATOM 0 HD13 LEU A 27 -3.624 3.074 10.398 1.00 73.30 H new ATOM 0 HD21 LEU A 27 -4.454 2.677 13.350 1.00 15.40 H new ATOM 0 HD22 LEU A 27 -5.546 3.342 12.112 1.00 15.40 H new ATOM 0 HD23 LEU A 27 -6.037 1.917 13.058 1.00 15.40 H new ATOM 423 N LEU A 28 -7.868 -1.131 9.332 1.00 62.44 N ATOM 424 CA LEU A 28 -8.815 -1.507 8.280 1.00 13.25 C ATOM 425 C LEU A 28 -10.016 -2.270 8.867 1.00 23.02 C ATOM 426 O LEU A 28 -9.859 -3.103 9.764 1.00 60.51 O ATOM 427 CB LEU A 28 -8.116 -2.378 7.223 1.00 74.31 C ATOM 428 CG LEU A 28 -6.963 -1.707 6.460 1.00 35.24 C ATOM 429 CD1 LEU A 28 -6.299 -2.696 5.506 1.00 70.12 C ATOM 430 CD2 LEU A 28 -7.457 -0.478 5.700 1.00 43.50 C ATOM 0 H LEU A 28 -7.281 -1.898 9.659 1.00 62.44 H new ATOM 0 HA LEU A 28 -9.179 -0.593 7.812 1.00 13.25 H new ATOM 0 HB2 LEU A 28 -7.731 -3.272 7.713 1.00 74.31 H new ATOM 0 HB3 LEU A 28 -8.862 -2.708 6.500 1.00 74.31 H new ATOM 0 HG LEU A 28 -6.220 -1.382 7.188 1.00 35.24 H new ATOM 0 HD11 LEU A 28 -5.486 -2.200 4.976 1.00 70.12 H new ATOM 0 HD12 LEU A 28 -5.903 -3.538 6.073 1.00 70.12 H new ATOM 0 HD13 LEU A 28 -7.034 -3.057 4.786 1.00 70.12 H new ATOM 0 HD21 LEU A 28 -6.623 -0.020 5.168 1.00 43.50 H new ATOM 0 HD22 LEU A 28 -8.224 -0.776 4.985 1.00 43.50 H new ATOM 0 HD23 LEU A 28 -7.877 0.241 6.404 1.00 43.50 H new ATOM 442 N SER A 29 -11.215 -1.976 8.371 1.00 52.35 N ATOM 443 CA SER A 29 -12.426 -2.699 8.789 1.00 42.12 C ATOM 444 C SER A 29 -12.900 -3.652 7.686 1.00 51.25 C ATOM 445 O SER A 29 -12.561 -3.469 6.518 1.00 63.51 O ATOM 446 CB SER A 29 -13.548 -1.723 9.163 1.00 42.34 C ATOM 447 OG SER A 29 -14.722 -2.419 9.560 1.00 73.14 O ATOM 0 H SER A 29 -11.380 -1.244 7.680 1.00 52.35 H new ATOM 0 HA SER A 29 -12.173 -3.287 9.671 1.00 42.12 H new ATOM 0 HB2 SER A 29 -13.215 -1.075 9.973 1.00 42.34 H new ATOM 0 HB3 SER A 29 -13.773 -1.080 8.312 1.00 42.34 H new ATOM 0 HG SER A 29 -15.421 -1.774 9.795 1.00 73.14 H new ATOM 453 N ASN A 30 -13.708 -4.643 8.065 1.00 55.15 N ATOM 454 CA ASN A 30 -14.114 -5.741 7.169 1.00 44.55 C ATOM 455 C ASN A 30 -14.539 -5.265 5.763 1.00 71.04 C ATOM 456 O ASN A 30 -14.073 -5.803 4.757 1.00 35.32 O ATOM 457 CB ASN A 30 -15.240 -6.556 7.820 1.00 53.25 C ATOM 458 CG ASN A 30 -16.427 -5.697 8.224 1.00 53.43 C ATOM 459 OD1 ASN A 30 -17.358 -5.497 7.455 1.00 74.00 O ATOM 460 ND2 ASN A 30 -16.401 -5.173 9.433 1.00 15.44 N ATOM 0 H ASN A 30 -14.103 -4.712 9.003 1.00 55.15 H new ATOM 0 HA ASN A 30 -13.234 -6.367 7.023 1.00 44.55 H new ATOM 0 HB2 ASN A 30 -15.574 -7.326 7.125 1.00 53.25 H new ATOM 0 HB3 ASN A 30 -14.851 -7.068 8.700 1.00 53.25 H new ATOM 0 HD21 ASN A 30 -17.170 -4.583 9.750 1.00 15.44 H new ATOM 0 HD22 ASN A 30 -15.611 -5.357 10.052 1.00 15.44 H new ATOM 467 N ALA A 31 -15.411 -4.258 5.691 1.00 22.13 N ATOM 468 CA ALA A 31 -15.878 -3.734 4.400 1.00 32.13 C ATOM 469 C ALA A 31 -14.730 -3.120 3.583 1.00 43.14 C ATOM 470 O ALA A 31 -14.562 -3.427 2.404 1.00 44.31 O ATOM 471 CB ALA A 31 -16.984 -2.708 4.614 1.00 53.54 C ATOM 0 H ALA A 31 -15.808 -3.789 6.505 1.00 22.13 H new ATOM 0 HA ALA A 31 -16.275 -4.573 3.829 1.00 32.13 H new ATOM 0 HB1 ALA A 31 -17.320 -2.329 3.649 1.00 53.54 H new ATOM 0 HB2 ALA A 31 -17.821 -3.178 5.131 1.00 53.54 H new ATOM 0 HB3 ALA A 31 -16.603 -1.883 5.216 1.00 53.54 H new ATOM 477 N GLN A 32 -13.933 -2.260 4.220 1.00 33.23 N ATOM 478 CA GLN A 32 -12.783 -1.636 3.555 1.00 61.22 C ATOM 479 C GLN A 32 -11.768 -2.686 3.082 1.00 3.22 C ATOM 480 O GLN A 32 -11.214 -2.581 1.987 1.00 33.12 O ATOM 481 CB GLN A 32 -12.099 -0.627 4.490 1.00 3.22 C ATOM 482 CG GLN A 32 -12.963 0.585 4.839 1.00 10.20 C ATOM 483 CD GLN A 32 -13.234 1.496 3.647 1.00 25.04 C ATOM 484 OE1 GLN A 32 -13.304 1.058 2.505 1.00 1.11 O ATOM 485 NE2 GLN A 32 -13.386 2.775 3.903 1.00 51.02 N ATOM 0 H GLN A 32 -14.060 -1.979 5.192 1.00 33.23 H new ATOM 0 HA GLN A 32 -13.159 -1.109 2.678 1.00 61.22 H new ATOM 0 HB2 GLN A 32 -11.816 -1.136 5.412 1.00 3.22 H new ATOM 0 HB3 GLN A 32 -11.178 -0.280 4.022 1.00 3.22 H new ATOM 0 HG2 GLN A 32 -13.913 0.240 5.247 1.00 10.20 H new ATOM 0 HG3 GLN A 32 -12.470 1.160 5.622 1.00 10.20 H new ATOM 0 HE21 GLN A 32 -13.323 3.114 4.863 1.00 51.02 H new ATOM 0 HE22 GLN A 32 -13.567 3.429 3.142 1.00 51.02 H new ATOM 494 N GLU A 33 -11.538 -3.698 3.914 1.00 42.14 N ATOM 495 CA GLU A 33 -10.651 -4.806 3.559 1.00 0.43 C ATOM 496 C GLU A 33 -11.202 -5.580 2.350 1.00 54.34 C ATOM 497 O GLU A 33 -10.468 -5.889 1.415 1.00 53.14 O ATOM 498 CB GLU A 33 -10.472 -5.754 4.756 1.00 33.11 C ATOM 499 CG GLU A 33 -9.864 -5.086 5.990 1.00 3.54 C ATOM 500 CD GLU A 33 -9.736 -6.018 7.191 1.00 53.24 C ATOM 501 OE1 GLU A 33 -10.323 -7.119 7.171 1.00 71.11 O ATOM 502 OE2 GLU A 33 -9.056 -5.645 8.171 1.00 11.30 O ATOM 0 H GLU A 33 -11.954 -3.775 4.842 1.00 42.14 H new ATOM 0 HA GLU A 33 -9.680 -4.391 3.290 1.00 0.43 H new ATOM 0 HB2 GLU A 33 -11.442 -6.174 5.023 1.00 33.11 H new ATOM 0 HB3 GLU A 33 -9.836 -6.587 4.455 1.00 33.11 H new ATOM 0 HG2 GLU A 33 -8.877 -4.700 5.734 1.00 3.54 H new ATOM 0 HG3 GLU A 33 -10.479 -4.230 6.269 1.00 3.54 H new ATOM 509 N GLU A 34 -12.502 -5.871 2.371 1.00 51.44 N ATOM 510 CA GLU A 34 -13.161 -6.596 1.276 1.00 62.33 C ATOM 511 C GLU A 34 -13.085 -5.813 -0.050 1.00 22.20 C ATOM 512 O GLU A 34 -12.702 -6.361 -1.084 1.00 43.14 O ATOM 513 CB GLU A 34 -14.626 -6.880 1.643 1.00 0.33 C ATOM 514 CG GLU A 34 -15.388 -7.680 0.592 1.00 13.12 C ATOM 515 CD GLU A 34 -14.757 -9.036 0.305 1.00 75.22 C ATOM 516 OE1 GLU A 34 -14.740 -9.893 1.215 1.00 40.24 O ATOM 517 OE2 GLU A 34 -14.293 -9.257 -0.831 1.00 62.35 O ATOM 0 H GLU A 34 -13.126 -5.616 3.137 1.00 51.44 H new ATOM 0 HA GLU A 34 -12.635 -7.540 1.133 1.00 62.33 H new ATOM 0 HB2 GLU A 34 -14.654 -7.423 2.588 1.00 0.33 H new ATOM 0 HB3 GLU A 34 -15.139 -5.932 1.805 1.00 0.33 H new ATOM 0 HG2 GLU A 34 -16.414 -7.827 0.928 1.00 13.12 H new ATOM 0 HG3 GLU A 34 -15.435 -7.104 -0.332 1.00 13.12 H new ATOM 524 N VAL A 35 -13.457 -4.532 -0.017 1.00 73.13 N ATOM 525 CA VAL A 35 -13.367 -3.669 -1.206 1.00 34.54 C ATOM 526 C VAL A 35 -11.917 -3.564 -1.707 1.00 21.33 C ATOM 527 O VAL A 35 -11.654 -3.578 -2.914 1.00 53.41 O ATOM 528 CB VAL A 35 -13.902 -2.245 -0.918 1.00 50.22 C ATOM 529 CG1 VAL A 35 -13.777 -1.351 -2.154 1.00 32.03 C ATOM 530 CG2 VAL A 35 -15.351 -2.303 -0.434 1.00 0.11 C ATOM 0 H VAL A 35 -13.822 -4.067 0.814 1.00 73.13 H new ATOM 0 HA VAL A 35 -13.985 -4.132 -1.976 1.00 34.54 H new ATOM 0 HB VAL A 35 -13.293 -1.808 -0.126 1.00 50.22 H new ATOM 0 HG11 VAL A 35 -14.160 -0.357 -1.924 1.00 32.03 H new ATOM 0 HG12 VAL A 35 -12.729 -1.278 -2.446 1.00 32.03 H new ATOM 0 HG13 VAL A 35 -14.353 -1.781 -2.974 1.00 32.03 H new ATOM 0 HG21 VAL A 35 -15.709 -1.293 -0.237 1.00 0.11 H new ATOM 0 HG22 VAL A 35 -15.973 -2.765 -1.201 1.00 0.11 H new ATOM 0 HG23 VAL A 35 -15.406 -2.892 0.481 1.00 0.11 H new ATOM 540 N MET A 36 -10.979 -3.451 -0.771 1.00 3.40 N ATOM 541 CA MET A 36 -9.558 -3.410 -1.111 1.00 53.33 C ATOM 542 C MET A 36 -9.113 -4.725 -1.775 1.00 3.30 C ATOM 543 O MET A 36 -8.511 -4.705 -2.846 1.00 51.40 O ATOM 544 CB MET A 36 -8.718 -3.113 0.139 1.00 33.32 C ATOM 545 CG MET A 36 -7.224 -2.970 -0.133 1.00 74.42 C ATOM 546 SD MET A 36 -6.315 -2.350 1.294 1.00 41.23 S ATOM 547 CE MET A 36 -6.987 -0.695 1.436 1.00 20.11 C ATOM 0 H MET A 36 -11.176 -3.386 0.228 1.00 3.40 H new ATOM 0 HA MET A 36 -9.400 -2.606 -1.829 1.00 53.33 H new ATOM 0 HB2 MET A 36 -9.082 -2.194 0.598 1.00 33.32 H new ATOM 0 HB3 MET A 36 -8.869 -3.913 0.864 1.00 33.32 H new ATOM 0 HG2 MET A 36 -6.818 -3.938 -0.425 1.00 74.42 H new ATOM 0 HG3 MET A 36 -7.075 -2.294 -0.975 1.00 74.42 H new ATOM 0 HE1 MET A 36 -6.360 -0.104 2.103 1.00 20.11 H new ATOM 0 HE2 MET A 36 -7.012 -0.227 0.452 1.00 20.11 H new ATOM 0 HE3 MET A 36 -7.998 -0.746 1.840 1.00 20.11 H new ATOM 557 N ASN A 37 -9.444 -5.864 -1.157 1.00 55.13 N ATOM 558 CA ASN A 37 -9.118 -7.179 -1.740 1.00 10.32 C ATOM 559 C ASN A 37 -9.759 -7.347 -3.124 1.00 2.41 C ATOM 560 O ASN A 37 -9.140 -7.880 -4.038 1.00 12.40 O ATOM 561 CB ASN A 37 -9.565 -8.338 -0.830 1.00 13.12 C ATOM 562 CG ASN A 37 -8.633 -8.565 0.347 1.00 22.32 C ATOM 563 OD1 ASN A 37 -7.580 -9.178 0.208 1.00 43.13 O ATOM 564 ND2 ASN A 37 -9.026 -8.117 1.517 1.00 31.01 N ATOM 0 H ASN A 37 -9.932 -5.907 -0.263 1.00 55.13 H new ATOM 0 HA ASN A 37 -8.033 -7.213 -1.838 1.00 10.32 H new ATOM 0 HB2 ASN A 37 -10.568 -8.133 -0.457 1.00 13.12 H new ATOM 0 HB3 ASN A 37 -9.625 -9.253 -1.420 1.00 13.12 H new ATOM 0 HD21 ASN A 37 -8.450 -8.275 2.344 1.00 31.01 H new ATOM 0 HD22 ASN A 37 -9.908 -7.610 1.599 1.00 31.01 H new ATOM 571 N GLY A 38 -11.001 -6.889 -3.266 1.00 21.22 N ATOM 572 CA GLY A 38 -11.685 -6.951 -4.554 1.00 21.11 C ATOM 573 C GLY A 38 -10.941 -6.206 -5.658 1.00 21.40 C ATOM 574 O GLY A 38 -10.763 -6.728 -6.761 1.00 52.30 O ATOM 0 H GLY A 38 -11.549 -6.475 -2.512 1.00 21.22 H new ATOM 0 HA2 GLY A 38 -11.807 -7.994 -4.845 1.00 21.11 H new ATOM 0 HA3 GLY A 38 -12.685 -6.530 -4.449 1.00 21.11 H new ATOM 578 N ARG A 39 -10.497 -4.986 -5.359 1.00 43.04 N ATOM 579 CA ARG A 39 -9.736 -4.179 -6.320 1.00 24.44 C ATOM 580 C ARG A 39 -8.338 -4.765 -6.578 1.00 64.43 C ATOM 581 O ARG A 39 -7.894 -4.835 -7.723 1.00 74.33 O ATOM 582 CB ARG A 39 -9.633 -2.724 -5.837 1.00 74.53 C ATOM 583 CG ARG A 39 -10.941 -1.949 -5.973 1.00 61.43 C ATOM 584 CD ARG A 39 -10.807 -0.496 -5.525 1.00 4.34 C ATOM 585 NE ARG A 39 -10.703 -0.364 -4.071 1.00 62.11 N ATOM 586 CZ ARG A 39 -10.731 0.780 -3.437 1.00 41.23 C ATOM 587 NH1 ARG A 39 -10.823 1.895 -4.090 1.00 71.01 N ATOM 588 NH2 ARG A 39 -10.673 0.810 -2.147 1.00 33.20 N ATOM 0 H ARG A 39 -10.650 -4.532 -4.459 1.00 43.04 H new ATOM 0 HA ARG A 39 -10.277 -4.198 -7.266 1.00 24.44 H new ATOM 0 HB2 ARG A 39 -9.321 -2.716 -4.793 1.00 74.53 H new ATOM 0 HB3 ARG A 39 -8.856 -2.214 -6.406 1.00 74.53 H new ATOM 0 HG2 ARG A 39 -11.270 -1.977 -7.012 1.00 61.43 H new ATOM 0 HG3 ARG A 39 -11.714 -2.439 -5.380 1.00 61.43 H new ATOM 0 HD2 ARG A 39 -9.925 -0.056 -5.990 1.00 4.34 H new ATOM 0 HD3 ARG A 39 -11.669 0.070 -5.877 1.00 4.34 H new ATOM 0 HE ARG A 39 -10.603 -1.216 -3.519 1.00 62.11 H new ATOM 0 HH11 ARG A 39 -10.874 1.887 -5.109 1.00 71.01 H new ATOM 0 HH12 ARG A 39 -10.844 2.781 -3.585 1.00 71.01 H new ATOM 0 HH21 ARG A 39 -10.605 -0.060 -1.619 1.00 33.20 H new ATOM 0 HH22 ARG A 39 -10.695 1.704 -1.656 1.00 33.20 H new ATOM 602 N LEU A 40 -7.653 -5.192 -5.519 1.00 12.34 N ATOM 603 CA LEU A 40 -6.328 -5.817 -5.652 1.00 15.44 C ATOM 604 C LEU A 40 -6.406 -7.105 -6.490 1.00 21.43 C ATOM 605 O LEU A 40 -5.613 -7.318 -7.407 1.00 13.43 O ATOM 606 CB LEU A 40 -5.743 -6.133 -4.264 1.00 21.40 C ATOM 607 CG LEU A 40 -5.544 -4.924 -3.334 1.00 45.12 C ATOM 608 CD1 LEU A 40 -4.983 -5.365 -1.984 1.00 55.43 C ATOM 609 CD2 LEU A 40 -4.637 -3.883 -3.981 1.00 53.02 C ATOM 0 H LEU A 40 -7.988 -5.119 -4.558 1.00 12.34 H new ATOM 0 HA LEU A 40 -5.675 -5.111 -6.164 1.00 15.44 H new ATOM 0 HB2 LEU A 40 -6.400 -6.847 -3.767 1.00 21.40 H new ATOM 0 HB3 LEU A 40 -4.781 -6.627 -4.399 1.00 21.40 H new ATOM 0 HG LEU A 40 -6.518 -4.465 -3.165 1.00 45.12 H new ATOM 0 HD11 LEU A 40 -4.850 -4.494 -1.343 1.00 55.43 H new ATOM 0 HD12 LEU A 40 -5.676 -6.061 -1.512 1.00 55.43 H new ATOM 0 HD13 LEU A 40 -4.021 -5.856 -2.132 1.00 55.43 H new ATOM 0 HD21 LEU A 40 -4.512 -3.038 -3.304 1.00 53.02 H new ATOM 0 HD22 LEU A 40 -3.664 -4.328 -4.190 1.00 53.02 H new ATOM 0 HD23 LEU A 40 -5.086 -3.538 -4.912 1.00 53.02 H new ATOM 621 N ARG A 41 -7.378 -7.952 -6.165 1.00 23.24 N ATOM 622 CA ARG A 41 -7.628 -9.192 -6.909 1.00 43.45 C ATOM 623 C ARG A 41 -8.025 -8.888 -8.366 1.00 10.32 C ATOM 624 O ARG A 41 -7.636 -9.606 -9.295 1.00 60.51 O ATOM 625 CB ARG A 41 -8.726 -10.000 -6.198 1.00 30.12 C ATOM 626 CG ARG A 41 -9.028 -11.356 -6.828 1.00 24.24 C ATOM 627 CD ARG A 41 -9.996 -12.164 -5.971 1.00 52.20 C ATOM 628 NE ARG A 41 -11.234 -11.433 -5.704 1.00 3.21 N ATOM 629 CZ ARG A 41 -11.807 -11.353 -4.530 1.00 25.30 C ATOM 630 NH1 ARG A 41 -11.287 -11.931 -3.495 1.00 72.33 N ATOM 631 NH2 ARG A 41 -12.909 -10.695 -4.388 1.00 65.02 N ATOM 0 H ARG A 41 -8.015 -7.803 -5.382 1.00 23.24 H new ATOM 0 HA ARG A 41 -6.712 -9.782 -6.936 1.00 43.45 H new ATOM 0 HB2 ARG A 41 -8.430 -10.154 -5.160 1.00 30.12 H new ATOM 0 HB3 ARG A 41 -9.642 -9.409 -6.184 1.00 30.12 H new ATOM 0 HG2 ARG A 41 -9.453 -11.211 -7.821 1.00 24.24 H new ATOM 0 HG3 ARG A 41 -8.100 -11.914 -6.956 1.00 24.24 H new ATOM 0 HD2 ARG A 41 -10.230 -13.102 -6.475 1.00 52.20 H new ATOM 0 HD3 ARG A 41 -9.516 -12.421 -5.027 1.00 52.20 H new ATOM 0 HE ARG A 41 -11.681 -10.953 -6.485 1.00 3.21 H new ATOM 0 HH11 ARG A 41 -10.419 -12.458 -3.588 1.00 72.33 H new ATOM 0 HH12 ARG A 41 -11.746 -11.859 -2.587 1.00 72.33 H new ATOM 0 HH21 ARG A 41 -13.336 -10.235 -5.192 1.00 65.02 H new ATOM 0 HH22 ARG A 41 -13.353 -10.635 -3.471 1.00 65.02 H new ATOM 645 N ALA A 42 -8.790 -7.812 -8.559 1.00 74.12 N ATOM 646 CA ALA A 42 -9.132 -7.338 -9.903 1.00 23.24 C ATOM 647 C ALA A 42 -7.872 -6.900 -10.663 1.00 12.53 C ATOM 648 O ALA A 42 -7.702 -7.221 -11.838 1.00 5.43 O ATOM 649 CB ALA A 42 -10.139 -6.193 -9.831 1.00 25.03 C ATOM 0 H ALA A 42 -9.185 -7.252 -7.803 1.00 74.12 H new ATOM 0 HA ALA A 42 -9.590 -8.164 -10.447 1.00 23.24 H new ATOM 0 HB1 ALA A 42 -10.379 -5.856 -10.839 1.00 25.03 H new ATOM 0 HB2 ALA A 42 -11.048 -6.538 -9.338 1.00 25.03 H new ATOM 0 HB3 ALA A 42 -9.710 -5.366 -9.265 1.00 25.03 H new ATOM 655 N ILE A 43 -6.982 -6.177 -9.979 1.00 20.32 N ATOM 656 CA ILE A 43 -5.693 -5.775 -10.556 1.00 44.33 C ATOM 657 C ILE A 43 -4.867 -7.007 -10.956 1.00 55.35 C ATOM 658 O ILE A 43 -4.319 -7.069 -12.058 1.00 14.23 O ATOM 659 CB ILE A 43 -4.880 -4.895 -9.568 1.00 40.23 C ATOM 660 CG1 ILE A 43 -5.595 -3.550 -9.338 1.00 44.22 C ATOM 661 CG2 ILE A 43 -3.452 -4.671 -10.070 1.00 73.24 C ATOM 662 CD1 ILE A 43 -4.915 -2.653 -8.325 1.00 62.32 C ATOM 0 H ILE A 43 -7.129 -5.856 -9.022 1.00 20.32 H new ATOM 0 HA ILE A 43 -5.906 -5.185 -11.447 1.00 44.33 H new ATOM 0 HB ILE A 43 -4.816 -5.423 -8.617 1.00 40.23 H new ATOM 0 HG12 ILE A 43 -5.664 -3.020 -10.288 1.00 44.22 H new ATOM 0 HG13 ILE A 43 -6.615 -3.745 -9.007 1.00 44.22 H new ATOM 0 HG21 ILE A 43 -2.909 -4.051 -9.357 1.00 73.24 H new ATOM 0 HG22 ILE A 43 -2.948 -5.632 -10.174 1.00 73.24 H new ATOM 0 HG23 ILE A 43 -3.481 -4.170 -11.038 1.00 73.24 H new ATOM 0 HD11 ILE A 43 -5.481 -1.727 -8.221 1.00 62.32 H new ATOM 0 HD12 ILE A 43 -4.870 -3.161 -7.362 1.00 62.32 H new ATOM 0 HD13 ILE A 43 -3.904 -2.425 -8.662 1.00 62.32 H new ATOM 674 N ARG A 44 -4.806 -7.996 -10.065 1.00 20.34 N ATOM 675 CA ARG A 44 -4.121 -9.261 -10.353 1.00 53.23 C ATOM 676 C ARG A 44 -4.730 -9.950 -11.592 1.00 31.33 C ATOM 677 O ARG A 44 -4.036 -10.635 -12.339 1.00 11.30 O ATOM 678 CB ARG A 44 -4.208 -10.199 -9.137 1.00 42.01 C ATOM 679 CG ARG A 44 -3.415 -11.499 -9.289 1.00 73.33 C ATOM 680 CD ARG A 44 -1.906 -11.263 -9.231 1.00 62.52 C ATOM 681 NE ARG A 44 -1.144 -12.475 -9.541 1.00 31.32 N ATOM 682 CZ ARG A 44 -0.845 -13.411 -8.675 1.00 14.12 C ATOM 683 NH1 ARG A 44 -1.231 -13.333 -7.439 1.00 43.22 N ATOM 684 NH2 ARG A 44 -0.153 -14.433 -9.054 1.00 4.51 N ATOM 0 H ARG A 44 -5.223 -7.948 -9.135 1.00 20.34 H new ATOM 0 HA ARG A 44 -3.074 -9.040 -10.563 1.00 53.23 H new ATOM 0 HB2 ARG A 44 -3.848 -9.668 -8.256 1.00 42.01 H new ATOM 0 HB3 ARG A 44 -5.254 -10.444 -8.956 1.00 42.01 H new ATOM 0 HG2 ARG A 44 -3.703 -12.193 -8.500 1.00 73.33 H new ATOM 0 HG3 ARG A 44 -3.671 -11.971 -10.238 1.00 73.33 H new ATOM 0 HD2 ARG A 44 -1.636 -10.476 -9.935 1.00 62.52 H new ATOM 0 HD3 ARG A 44 -1.633 -10.909 -8.237 1.00 62.52 H new ATOM 0 HE ARG A 44 -0.823 -12.599 -10.501 1.00 31.32 H new ATOM 0 HH11 ARG A 44 -1.778 -12.532 -7.125 1.00 43.22 H new ATOM 0 HH12 ARG A 44 -0.987 -14.073 -6.781 1.00 43.22 H new ATOM 0 HH21 ARG A 44 0.157 -14.508 -10.023 1.00 4.51 H new ATOM 0 HH22 ARG A 44 0.083 -15.165 -8.385 1.00 4.51 H new ATOM 698 N SER A 45 -6.033 -9.756 -11.800 1.00 23.54 N ATOM 699 CA SER A 45 -6.744 -10.366 -12.939 1.00 25.32 C ATOM 700 C SER A 45 -6.810 -9.428 -14.159 1.00 31.51 C ATOM 701 O SER A 45 -7.161 -9.857 -15.258 1.00 20.13 O ATOM 702 CB SER A 45 -8.168 -10.763 -12.524 1.00 21.02 C ATOM 703 OG SER A 45 -8.851 -11.449 -13.568 1.00 31.33 O ATOM 0 H SER A 45 -6.623 -9.182 -11.198 1.00 23.54 H new ATOM 0 HA SER A 45 -6.178 -11.251 -13.229 1.00 25.32 H new ATOM 0 HB2 SER A 45 -8.125 -11.398 -11.639 1.00 21.02 H new ATOM 0 HB3 SER A 45 -8.729 -9.870 -12.248 1.00 21.02 H new ATOM 0 HG SER A 45 -8.439 -11.227 -14.429 1.00 31.33 H new ATOM 709 N SER A 46 -6.495 -8.151 -13.960 1.00 74.10 N ATOM 710 CA SER A 46 -6.531 -7.156 -15.049 1.00 1.13 C ATOM 711 C SER A 46 -5.118 -6.764 -15.491 1.00 42.20 C ATOM 712 O SER A 46 -4.714 -7.005 -16.628 1.00 54.54 O ATOM 713 CB SER A 46 -7.279 -5.890 -14.600 1.00 33.33 C ATOM 714 OG SER A 46 -8.644 -6.159 -14.308 1.00 62.34 O ATOM 0 H SER A 46 -6.211 -7.772 -13.057 1.00 74.10 H new ATOM 0 HA SER A 46 -7.053 -7.615 -15.889 1.00 1.13 H new ATOM 0 HB2 SER A 46 -6.793 -5.475 -13.717 1.00 33.33 H new ATOM 0 HB3 SER A 46 -7.217 -5.134 -15.383 1.00 33.33 H new ATOM 0 HG SER A 46 -8.714 -6.565 -13.419 1.00 62.34 H new ATOM 720 N HIS A 47 -4.379 -6.158 -14.570 1.00 54.33 N ATOM 721 CA HIS A 47 -3.030 -5.659 -14.844 1.00 51.31 C ATOM 722 C HIS A 47 -1.967 -6.728 -14.532 1.00 54.41 C ATOM 723 O HIS A 47 -0.786 -6.543 -14.824 1.00 52.42 O ATOM 724 CB HIS A 47 -2.777 -4.397 -14.005 1.00 53.35 C ATOM 725 CG HIS A 47 -3.919 -3.419 -14.040 1.00 14.42 C ATOM 726 ND1 HIS A 47 -4.414 -2.945 -15.225 1.00 41.02 N ATOM 727 CD2 HIS A 47 -4.631 -2.879 -13.021 1.00 44.11 C ATOM 728 CE1 HIS A 47 -5.403 -2.136 -14.913 1.00 13.53 C ATOM 729 NE2 HIS A 47 -5.577 -2.059 -13.587 1.00 64.12 N ATOM 0 H HIS A 47 -4.694 -5.997 -13.613 1.00 54.33 H new ATOM 0 HA HIS A 47 -2.955 -5.417 -15.904 1.00 51.31 H new ATOM 0 HB2 HIS A 47 -2.589 -4.688 -12.972 1.00 53.35 H new ATOM 0 HB3 HIS A 47 -1.875 -3.904 -14.366 1.00 53.35 H new ATOM 0 HD2 HIS A 47 -4.483 -3.059 -11.966 1.00 44.11 H new ATOM 0 HE1 HIS A 47 -6.000 -1.600 -15.636 1.00 13.53 H new ATOM 0 HE2 HIS A 47 -6.275 -1.501 -13.094 1.00 64.12 H new ATOM 737 N ALA A 48 -2.410 -7.833 -13.917 1.00 62.41 N ATOM 738 CA ALA A 48 -1.532 -8.955 -13.538 1.00 41.12 C ATOM 739 C ALA A 48 -0.538 -8.568 -12.430 1.00 54.23 C ATOM 740 O ALA A 48 0.319 -9.365 -12.046 1.00 40.40 O ATOM 741 CB ALA A 48 -0.794 -9.502 -14.758 1.00 23.20 C ATOM 0 H ALA A 48 -3.388 -7.977 -13.667 1.00 62.41 H new ATOM 0 HA ALA A 48 -2.172 -9.740 -13.136 1.00 41.12 H new ATOM 0 HB1 ALA A 48 -0.152 -10.329 -14.454 1.00 23.20 H new ATOM 0 HB2 ALA A 48 -1.518 -9.855 -15.493 1.00 23.20 H new ATOM 0 HB3 ALA A 48 -0.185 -8.713 -15.199 1.00 23.20 H new ATOM 747 N VAL A 49 -0.690 -7.355 -11.900 1.00 14.24 N ATOM 748 CA VAL A 49 0.232 -6.799 -10.904 1.00 30.22 C ATOM 749 C VAL A 49 -0.047 -7.342 -9.497 1.00 63.45 C ATOM 750 O VAL A 49 -1.192 -7.344 -9.033 1.00 11.13 O ATOM 751 CB VAL A 49 0.139 -5.249 -10.873 1.00 1.25 C ATOM 752 CG1 VAL A 49 1.069 -4.653 -9.812 1.00 31.41 C ATOM 753 CG2 VAL A 49 0.443 -4.666 -12.251 1.00 35.04 C ATOM 0 H VAL A 49 -1.455 -6.728 -12.148 1.00 14.24 H new ATOM 0 HA VAL A 49 1.235 -7.104 -11.202 1.00 30.22 H new ATOM 0 HB VAL A 49 -0.882 -4.981 -10.602 1.00 1.25 H new ATOM 0 HG11 VAL A 49 0.979 -3.567 -9.818 1.00 31.41 H new ATOM 0 HG12 VAL A 49 0.792 -5.035 -8.829 1.00 31.41 H new ATOM 0 HG13 VAL A 49 2.099 -4.932 -10.033 1.00 31.41 H new ATOM 0 HG21 VAL A 49 0.373 -3.579 -12.210 1.00 35.04 H new ATOM 0 HG22 VAL A 49 1.450 -4.954 -12.554 1.00 35.04 H new ATOM 0 HG23 VAL A 49 -0.277 -5.049 -12.975 1.00 35.04 H new ATOM 763 N GLU A 50 1.003 -7.800 -8.820 1.00 73.11 N ATOM 764 CA GLU A 50 0.889 -8.231 -7.428 1.00 21.30 C ATOM 765 C GLU A 50 0.895 -7.011 -6.489 1.00 22.31 C ATOM 766 O GLU A 50 1.951 -6.488 -6.140 1.00 45.22 O ATOM 767 CB GLU A 50 2.032 -9.192 -7.056 1.00 52.41 C ATOM 768 CG GLU A 50 2.222 -10.358 -8.026 1.00 61.34 C ATOM 769 CD GLU A 50 3.207 -10.051 -9.151 1.00 63.43 C ATOM 770 OE1 GLU A 50 2.781 -9.522 -10.195 1.00 43.42 O ATOM 771 OE2 GLU A 50 4.411 -10.359 -9.000 1.00 34.05 O ATOM 0 H GLU A 50 1.941 -7.882 -9.211 1.00 73.11 H new ATOM 0 HA GLU A 50 -0.056 -8.762 -7.313 1.00 21.30 H new ATOM 0 HB2 GLU A 50 2.962 -8.626 -7.002 1.00 52.41 H new ATOM 0 HB3 GLU A 50 1.843 -9.592 -6.060 1.00 52.41 H new ATOM 0 HG2 GLU A 50 2.573 -11.229 -7.472 1.00 61.34 H new ATOM 0 HG3 GLU A 50 1.257 -10.623 -8.459 1.00 61.34 H new ATOM 778 N PHE A 51 -0.292 -6.560 -6.098 1.00 10.25 N ATOM 779 CA PHE A 51 -0.440 -5.360 -5.264 1.00 21.11 C ATOM 780 C PHE A 51 -0.781 -5.750 -3.814 1.00 72.34 C ATOM 781 O PHE A 51 -1.934 -6.033 -3.493 1.00 2.14 O ATOM 782 CB PHE A 51 -1.546 -4.470 -5.864 1.00 30.34 C ATOM 783 CG PHE A 51 -1.578 -3.030 -5.385 1.00 34.24 C ATOM 784 CD1 PHE A 51 -1.121 -2.661 -4.122 1.00 73.33 C ATOM 785 CD2 PHE A 51 -2.085 -2.040 -6.216 1.00 23.05 C ATOM 786 CE1 PHE A 51 -1.171 -1.341 -3.709 1.00 2.23 C ATOM 787 CE2 PHE A 51 -2.138 -0.725 -5.804 1.00 61.10 C ATOM 788 CZ PHE A 51 -1.681 -0.373 -4.552 1.00 45.45 C ATOM 0 H PHE A 51 -1.175 -7.007 -6.345 1.00 10.25 H new ATOM 0 HA PHE A 51 0.500 -4.808 -5.247 1.00 21.11 H new ATOM 0 HB2 PHE A 51 -1.435 -4.468 -6.948 1.00 30.34 H new ATOM 0 HB3 PHE A 51 -2.511 -4.926 -5.643 1.00 30.34 H new ATOM 0 HD1 PHE A 51 -0.723 -3.414 -3.457 1.00 73.33 H new ATOM 0 HD2 PHE A 51 -2.443 -2.304 -7.200 1.00 23.05 H new ATOM 0 HE1 PHE A 51 -0.811 -1.068 -2.728 1.00 2.23 H new ATOM 0 HE2 PHE A 51 -2.538 0.031 -6.464 1.00 61.10 H new ATOM 0 HZ PHE A 51 -1.722 0.657 -4.231 1.00 45.45 H new ATOM 798 N ALA A 52 0.227 -5.765 -2.945 1.00 52.13 N ATOM 799 CA ALA A 52 0.047 -6.202 -1.554 1.00 74.24 C ATOM 800 C ALA A 52 0.035 -5.025 -0.563 1.00 34.43 C ATOM 801 O ALA A 52 1.004 -4.274 -0.463 1.00 65.24 O ATOM 802 CB ALA A 52 1.145 -7.193 -1.180 1.00 45.44 C ATOM 0 H ALA A 52 1.179 -5.480 -3.175 1.00 52.13 H new ATOM 0 HA ALA A 52 -0.928 -6.684 -1.487 1.00 74.24 H new ATOM 0 HB1 ALA A 52 1.008 -7.515 -0.148 1.00 45.44 H new ATOM 0 HB2 ALA A 52 1.094 -8.059 -1.840 1.00 45.44 H new ATOM 0 HB3 ALA A 52 2.119 -6.714 -1.285 1.00 45.44 H new ATOM 808 N VAL A 53 -1.065 -4.879 0.177 1.00 14.44 N ATOM 809 CA VAL A 53 -1.194 -3.833 1.200 1.00 25.42 C ATOM 810 C VAL A 53 -0.961 -4.400 2.616 1.00 34.34 C ATOM 811 O VAL A 53 -1.446 -5.480 2.955 1.00 51.15 O ATOM 812 CB VAL A 53 -2.592 -3.161 1.138 1.00 71.24 C ATOM 813 CG1 VAL A 53 -2.705 -2.032 2.163 1.00 55.24 C ATOM 814 CG2 VAL A 53 -2.878 -2.643 -0.273 1.00 40.42 C ATOM 0 H VAL A 53 -1.887 -5.476 0.088 1.00 14.44 H new ATOM 0 HA VAL A 53 -0.429 -3.085 0.990 1.00 25.42 H new ATOM 0 HB VAL A 53 -3.340 -3.914 1.386 1.00 71.24 H new ATOM 0 HG11 VAL A 53 -3.694 -1.579 2.098 1.00 55.24 H new ATOM 0 HG12 VAL A 53 -2.556 -2.434 3.165 1.00 55.24 H new ATOM 0 HG13 VAL A 53 -1.946 -1.277 1.958 1.00 55.24 H new ATOM 0 HG21 VAL A 53 -3.862 -2.175 -0.296 1.00 40.42 H new ATOM 0 HG22 VAL A 53 -2.121 -1.910 -0.552 1.00 40.42 H new ATOM 0 HG23 VAL A 53 -2.854 -3.474 -0.978 1.00 40.42 H new ATOM 824 N VAL A 54 -0.221 -3.663 3.439 1.00 61.44 N ATOM 825 CA VAL A 54 0.123 -4.099 4.799 1.00 31.02 C ATOM 826 C VAL A 54 -0.168 -2.992 5.823 1.00 4.15 C ATOM 827 O VAL A 54 0.073 -1.817 5.559 1.00 35.51 O ATOM 828 CB VAL A 54 1.624 -4.489 4.904 1.00 41.13 C ATOM 829 CG1 VAL A 54 1.977 -4.977 6.312 1.00 72.21 C ATOM 830 CG2 VAL A 54 1.991 -5.543 3.860 1.00 1.41 C ATOM 0 H VAL A 54 0.158 -2.750 3.189 1.00 61.44 H new ATOM 0 HA VAL A 54 -0.494 -4.971 5.017 1.00 31.02 H new ATOM 0 HB VAL A 54 2.210 -3.592 4.704 1.00 41.13 H new ATOM 0 HG11 VAL A 54 3.034 -5.242 6.351 1.00 72.21 H new ATOM 0 HG12 VAL A 54 1.774 -4.185 7.033 1.00 72.21 H new ATOM 0 HG13 VAL A 54 1.375 -5.852 6.555 1.00 72.21 H new ATOM 0 HG21 VAL A 54 3.047 -5.798 3.956 1.00 1.41 H new ATOM 0 HG22 VAL A 54 1.386 -6.436 4.017 1.00 1.41 H new ATOM 0 HG23 VAL A 54 1.802 -5.148 2.862 1.00 1.41 H new ATOM 840 N THR A 55 -0.692 -3.367 6.989 1.00 32.43 N ATOM 841 CA THR A 55 -0.918 -2.407 8.083 1.00 23.01 C ATOM 842 C THR A 55 -0.307 -2.909 9.395 1.00 25.30 C ATOM 843 O THR A 55 -0.662 -3.984 9.882 1.00 10.34 O ATOM 844 CB THR A 55 -2.425 -2.139 8.322 1.00 51.30 C ATOM 845 OG1 THR A 55 -3.093 -3.354 8.704 1.00 53.11 O ATOM 846 CG2 THR A 55 -3.087 -1.561 7.077 1.00 22.51 C ATOM 0 H THR A 55 -0.969 -4.324 7.206 1.00 32.43 H new ATOM 0 HA THR A 55 -0.435 -1.480 7.775 1.00 23.01 H new ATOM 0 HB THR A 55 -2.509 -1.410 9.128 1.00 51.30 H new ATOM 0 HG1 THR A 55 -2.751 -4.098 8.166 1.00 53.11 H new ATOM 0 HG21 THR A 55 -4.144 -1.384 7.276 1.00 22.51 H new ATOM 0 HG22 THR A 55 -2.605 -0.620 6.812 1.00 22.51 H new ATOM 0 HG23 THR A 55 -2.986 -2.265 6.251 1.00 22.51 H new ATOM 854 N LEU A 56 0.591 -2.119 9.980 1.00 15.01 N ATOM 855 CA LEU A 56 1.274 -2.509 11.222 1.00 2.02 C ATOM 856 C LEU A 56 1.168 -1.413 12.295 1.00 72.33 C ATOM 857 O LEU A 56 1.266 -0.221 11.986 1.00 13.05 O ATOM 858 CB LEU A 56 2.756 -2.792 10.950 1.00 42.50 C ATOM 859 CG LEU A 56 3.049 -3.862 9.888 1.00 30.25 C ATOM 860 CD1 LEU A 56 4.540 -3.914 9.580 1.00 1.42 C ATOM 861 CD2 LEU A 56 2.551 -5.231 10.342 1.00 51.41 C ATOM 0 H LEU A 56 0.866 -1.206 9.618 1.00 15.01 H new ATOM 0 HA LEU A 56 0.782 -3.410 11.590 1.00 2.02 H new ATOM 0 HB2 LEU A 56 3.233 -1.862 10.642 1.00 42.50 H new ATOM 0 HB3 LEU A 56 3.226 -3.097 11.885 1.00 42.50 H new ATOM 0 HG LEU A 56 2.515 -3.591 8.977 1.00 30.25 H new ATOM 0 HD11 LEU A 56 4.729 -4.678 8.826 1.00 1.42 H new ATOM 0 HD12 LEU A 56 4.868 -2.944 9.205 1.00 1.42 H new ATOM 0 HD13 LEU A 56 5.091 -4.157 10.489 1.00 1.42 H new ATOM 0 HD21 LEU A 56 2.770 -5.971 9.573 1.00 51.41 H new ATOM 0 HD22 LEU A 56 3.052 -5.511 11.269 1.00 51.41 H new ATOM 0 HD23 LEU A 56 1.475 -5.190 10.509 1.00 51.41 H new ATOM 873 N PRO A 57 0.974 -1.801 13.575 1.00 54.34 N ATOM 874 CA PRO A 57 0.943 -0.844 14.698 1.00 63.04 C ATOM 875 C PRO A 57 2.243 -0.028 14.804 1.00 21.14 C ATOM 876 O PRO A 57 2.226 1.204 14.778 1.00 74.05 O ATOM 877 CB PRO A 57 0.770 -1.740 15.937 1.00 43.21 C ATOM 878 CG PRO A 57 0.194 -3.014 15.416 1.00 74.22 C ATOM 879 CD PRO A 57 0.751 -3.188 14.028 1.00 13.22 C ATOM 0 HA PRO A 57 0.149 -0.106 14.579 1.00 63.04 H new ATOM 0 HB2 PRO A 57 1.724 -1.913 16.435 1.00 43.21 H new ATOM 0 HB3 PRO A 57 0.108 -1.278 16.669 1.00 43.21 H new ATOM 0 HG2 PRO A 57 0.467 -3.855 16.054 1.00 74.22 H new ATOM 0 HG3 PRO A 57 -0.895 -2.970 15.396 1.00 74.22 H new ATOM 0 HD2 PRO A 57 1.677 -3.763 14.035 1.00 13.22 H new ATOM 0 HD3 PRO A 57 0.053 -3.716 13.378 1.00 13.22 H new ATOM 887 N SER A 58 3.373 -0.727 14.912 1.00 44.42 N ATOM 888 CA SER A 58 4.680 -0.072 15.028 1.00 73.14 C ATOM 889 C SER A 58 5.815 -0.979 14.549 1.00 72.53 C ATOM 890 O SER A 58 5.737 -2.201 14.661 1.00 3.13 O ATOM 891 CB SER A 58 4.956 0.339 16.478 1.00 73.32 C ATOM 892 OG SER A 58 6.282 0.826 16.625 1.00 32.51 O ATOM 0 H SER A 58 3.412 -1.746 14.922 1.00 44.42 H new ATOM 0 HA SER A 58 4.645 0.813 14.392 1.00 73.14 H new ATOM 0 HB2 SER A 58 4.246 1.108 16.783 1.00 73.32 H new ATOM 0 HB3 SER A 58 4.803 -0.515 17.137 1.00 73.32 H new ATOM 0 HG SER A 58 6.434 1.084 17.558 1.00 32.51 H new ATOM 898 N ILE A 59 6.866 -0.366 14.011 1.00 60.13 N ATOM 899 CA ILE A 59 8.091 -1.080 13.627 1.00 55.35 C ATOM 900 C ILE A 59 9.292 -0.544 14.428 1.00 12.42 C ATOM 901 O ILE A 59 10.450 -0.717 14.041 1.00 52.45 O ATOM 902 CB ILE A 59 8.373 -0.947 12.106 1.00 43.50 C ATOM 903 CG1 ILE A 59 8.573 0.530 11.713 1.00 74.50 C ATOM 904 CG2 ILE A 59 7.239 -1.579 11.297 1.00 3.34 C ATOM 905 CD1 ILE A 59 8.916 0.727 10.250 1.00 65.42 C ATOM 0 H ILE A 59 6.898 0.637 13.827 1.00 60.13 H new ATOM 0 HA ILE A 59 7.944 -2.136 13.854 1.00 55.35 H new ATOM 0 HB ILE A 59 9.295 -1.481 11.878 1.00 43.50 H new ATOM 0 HG12 ILE A 59 7.663 1.085 11.942 1.00 74.50 H new ATOM 0 HG13 ILE A 59 9.368 0.956 12.325 1.00 74.50 H new ATOM 0 HG21 ILE A 59 7.451 -1.478 10.233 1.00 3.34 H new ATOM 0 HG22 ILE A 59 7.155 -2.636 11.552 1.00 3.34 H new ATOM 0 HG23 ILE A 59 6.301 -1.075 11.530 1.00 3.34 H new ATOM 0 HD11 ILE A 59 9.042 1.790 10.046 1.00 65.42 H new ATOM 0 HD12 ILE A 59 9.842 0.201 10.019 1.00 65.42 H new ATOM 0 HD13 ILE A 59 8.110 0.332 9.631 1.00 65.42 H new ATOM 917 N GLY A 60 9.002 0.101 15.560 1.00 64.10 N ATOM 918 CA GLY A 60 10.054 0.672 16.396 1.00 24.44 C ATOM 919 C GLY A 60 10.776 1.845 15.736 1.00 53.31 C ATOM 920 O GLY A 60 11.999 1.968 15.841 1.00 13.43 O ATOM 0 H GLY A 60 8.056 0.239 15.915 1.00 64.10 H new ATOM 0 HA2 GLY A 60 9.620 1.005 17.339 1.00 24.44 H new ATOM 0 HA3 GLY A 60 10.780 -0.105 16.636 1.00 24.44 H new ATOM 924 N ASP A 61 10.013 2.695 15.041 1.00 44.31 N ATOM 925 CA ASP A 61 10.551 3.884 14.352 1.00 22.01 C ATOM 926 C ASP A 61 11.642 3.518 13.312 1.00 61.24 C ATOM 927 O ASP A 61 12.383 4.380 12.838 1.00 42.12 O ATOM 928 CB ASP A 61 11.085 4.887 15.390 1.00 41.12 C ATOM 929 CG ASP A 61 11.406 6.249 14.792 1.00 72.41 C ATOM 930 OD1 ASP A 61 10.482 6.912 14.274 1.00 15.54 O ATOM 931 OD2 ASP A 61 12.582 6.670 14.847 1.00 60.14 O ATOM 0 H ASP A 61 9.005 2.583 14.937 1.00 44.31 H new ATOM 0 HA ASP A 61 9.737 4.347 13.793 1.00 22.01 H new ATOM 0 HB2 ASP A 61 10.346 5.009 16.182 1.00 41.12 H new ATOM 0 HB3 ASP A 61 11.984 4.479 15.853 1.00 41.12 H new ATOM 936 N ALA A 62 11.714 2.240 12.939 1.00 65.35 N ATOM 937 CA ALA A 62 12.689 1.771 11.942 1.00 53.12 C ATOM 938 C ALA A 62 12.468 2.437 10.568 1.00 34.41 C ATOM 939 O ALA A 62 11.344 2.820 10.234 1.00 24.33 O ATOM 940 CB ALA A 62 12.609 0.251 11.812 1.00 12.31 C ATOM 0 H ALA A 62 11.110 1.507 13.310 1.00 65.35 H new ATOM 0 HA ALA A 62 13.683 2.054 12.287 1.00 53.12 H new ATOM 0 HB1 ALA A 62 13.333 -0.090 11.072 1.00 12.31 H new ATOM 0 HB2 ALA A 62 12.830 -0.209 12.775 1.00 12.31 H new ATOM 0 HB3 ALA A 62 11.606 -0.035 11.496 1.00 12.31 H new ATOM 946 N PRO A 63 13.539 2.595 9.755 1.00 52.52 N ATOM 947 CA PRO A 63 13.437 3.194 8.409 1.00 24.02 C ATOM 948 C PRO A 63 12.439 2.449 7.502 1.00 73.01 C ATOM 949 O PRO A 63 12.686 1.318 7.079 1.00 23.04 O ATOM 950 CB PRO A 63 14.870 3.093 7.849 1.00 0.55 C ATOM 951 CG PRO A 63 15.561 2.091 8.719 1.00 40.13 C ATOM 952 CD PRO A 63 14.926 2.217 10.076 1.00 1.41 C ATOM 0 HA PRO A 63 13.061 4.216 8.452 1.00 24.02 H new ATOM 0 HB2 PRO A 63 14.864 2.772 6.807 1.00 0.55 H new ATOM 0 HB3 PRO A 63 15.375 4.058 7.883 1.00 0.55 H new ATOM 0 HG2 PRO A 63 15.442 1.082 8.324 1.00 40.13 H new ATOM 0 HG3 PRO A 63 16.632 2.289 8.769 1.00 40.13 H new ATOM 0 HD2 PRO A 63 14.971 1.281 10.632 1.00 1.41 H new ATOM 0 HD3 PRO A 63 15.421 2.974 10.685 1.00 1.41 H new ATOM 960 N LEU A 64 11.311 3.100 7.211 1.00 73.22 N ATOM 961 CA LEU A 64 10.224 2.493 6.424 1.00 35.24 C ATOM 962 C LEU A 64 10.711 1.899 5.087 1.00 75.12 C ATOM 963 O LEU A 64 10.345 0.777 4.735 1.00 75.13 O ATOM 964 CB LEU A 64 9.122 3.536 6.165 1.00 62.21 C ATOM 965 CG LEU A 64 7.939 3.058 5.300 1.00 1.41 C ATOM 966 CD1 LEU A 64 7.270 1.828 5.914 1.00 45.01 C ATOM 967 CD2 LEU A 64 6.925 4.186 5.111 1.00 33.21 C ATOM 0 H LEU A 64 11.121 4.057 7.510 1.00 73.22 H new ATOM 0 HA LEU A 64 9.827 1.666 7.012 1.00 35.24 H new ATOM 0 HB2 LEU A 64 8.733 3.873 7.126 1.00 62.21 H new ATOM 0 HB3 LEU A 64 9.574 4.403 5.683 1.00 62.21 H new ATOM 0 HG LEU A 64 8.328 2.774 4.322 1.00 1.41 H new ATOM 0 HD11 LEU A 64 6.439 1.513 5.283 1.00 45.01 H new ATOM 0 HD12 LEU A 64 7.996 1.018 5.989 1.00 45.01 H new ATOM 0 HD13 LEU A 64 6.897 2.075 6.908 1.00 45.01 H new ATOM 0 HD21 LEU A 64 6.096 3.831 4.498 1.00 33.21 H new ATOM 0 HD22 LEU A 64 6.548 4.503 6.083 1.00 33.21 H new ATOM 0 HD23 LEU A 64 7.407 5.029 4.617 1.00 33.21 H new ATOM 979 N GLU A 65 11.533 2.650 4.352 1.00 2.14 N ATOM 980 CA GLU A 65 12.012 2.213 3.028 1.00 3.12 C ATOM 981 C GLU A 65 12.937 0.986 3.122 1.00 32.43 C ATOM 982 O GLU A 65 13.065 0.218 2.171 1.00 44.21 O ATOM 983 CB GLU A 65 12.723 3.375 2.316 1.00 14.04 C ATOM 984 CG GLU A 65 11.857 4.627 2.194 1.00 13.02 C ATOM 985 CD GLU A 65 12.531 5.754 1.427 1.00 42.34 C ATOM 986 OE1 GLU A 65 13.315 6.512 2.041 1.00 13.23 O ATOM 987 OE2 GLU A 65 12.271 5.896 0.215 1.00 73.52 O ATOM 0 H GLU A 65 11.883 3.562 4.645 1.00 2.14 H new ATOM 0 HA GLU A 65 11.142 1.912 2.444 1.00 3.12 H new ATOM 0 HB2 GLU A 65 13.634 3.623 2.861 1.00 14.04 H new ATOM 0 HB3 GLU A 65 13.025 3.052 1.320 1.00 14.04 H new ATOM 0 HG2 GLU A 65 10.923 4.367 1.697 1.00 13.02 H new ATOM 0 HG3 GLU A 65 11.599 4.980 3.192 1.00 13.02 H new ATOM 994 N ASP A 66 13.584 0.814 4.273 1.00 13.03 N ATOM 995 CA ASP A 66 14.384 -0.384 4.539 1.00 52.13 C ATOM 996 C ASP A 66 13.461 -1.577 4.843 1.00 33.51 C ATOM 997 O ASP A 66 13.637 -2.679 4.311 1.00 32.45 O ATOM 998 CB ASP A 66 15.331 -0.117 5.717 1.00 75.22 C ATOM 999 CG ASP A 66 16.188 -1.320 6.078 1.00 44.53 C ATOM 1000 OD1 ASP A 66 17.237 -1.526 5.434 1.00 73.41 O ATOM 1001 OD2 ASP A 66 15.828 -2.056 7.021 1.00 13.03 O ATOM 0 H ASP A 66 13.571 1.489 5.038 1.00 13.03 H new ATOM 0 HA ASP A 66 14.979 -0.627 3.658 1.00 52.13 H new ATOM 0 HB2 ASP A 66 15.980 0.723 5.470 1.00 75.22 H new ATOM 0 HB3 ASP A 66 14.745 0.178 6.587 1.00 75.22 H new ATOM 1006 N PHE A 67 12.462 -1.329 5.690 1.00 21.14 N ATOM 1007 CA PHE A 67 11.481 -2.349 6.072 1.00 72.00 C ATOM 1008 C PHE A 67 10.749 -2.926 4.847 1.00 60.25 C ATOM 1009 O PHE A 67 10.616 -4.147 4.710 1.00 42.20 O ATOM 1010 CB PHE A 67 10.464 -1.749 7.055 1.00 44.23 C ATOM 1011 CG PHE A 67 9.438 -2.744 7.540 1.00 51.20 C ATOM 1012 CD1 PHE A 67 9.687 -3.526 8.658 1.00 34.45 C ATOM 1013 CD2 PHE A 67 8.232 -2.907 6.869 1.00 71.43 C ATOM 1014 CE1 PHE A 67 8.756 -4.447 9.096 1.00 45.21 C ATOM 1015 CE2 PHE A 67 7.302 -3.830 7.304 1.00 20.23 C ATOM 1016 CZ PHE A 67 7.565 -4.601 8.418 1.00 32.41 C ATOM 0 H PHE A 67 12.309 -0.421 6.129 1.00 21.14 H new ATOM 0 HA PHE A 67 12.019 -3.167 6.551 1.00 72.00 H new ATOM 0 HB2 PHE A 67 10.997 -1.341 7.914 1.00 44.23 H new ATOM 0 HB3 PHE A 67 9.952 -0.916 6.573 1.00 44.23 H new ATOM 0 HD1 PHE A 67 10.619 -3.413 9.192 1.00 34.45 H new ATOM 0 HD2 PHE A 67 8.020 -2.305 5.998 1.00 71.43 H new ATOM 0 HE1 PHE A 67 8.961 -5.047 9.970 1.00 45.21 H new ATOM 0 HE2 PHE A 67 6.369 -3.949 6.773 1.00 20.23 H new ATOM 0 HZ PHE A 67 6.839 -5.324 8.758 1.00 32.41 H new ATOM 1026 N THR A 68 10.275 -2.043 3.964 1.00 74.42 N ATOM 1027 CA THR A 68 9.535 -2.455 2.759 1.00 74.52 C ATOM 1028 C THR A 68 10.344 -3.440 1.910 1.00 34.35 C ATOM 1029 O THR A 68 9.847 -4.504 1.532 1.00 10.42 O ATOM 1030 CB THR A 68 9.144 -1.238 1.881 1.00 75.14 C ATOM 1031 OG1 THR A 68 10.305 -0.454 1.580 1.00 31.21 O ATOM 1032 CG2 THR A 68 8.110 -0.362 2.582 1.00 51.13 C ATOM 0 H THR A 68 10.389 -1.034 4.058 1.00 74.42 H new ATOM 0 HA THR A 68 8.628 -2.946 3.111 1.00 74.52 H new ATOM 0 HB THR A 68 8.708 -1.619 0.957 1.00 75.14 H new ATOM 0 HG1 THR A 68 10.449 -0.442 0.611 1.00 31.21 H new ATOM 0 HG21 THR A 68 7.855 0.483 1.942 1.00 51.13 H new ATOM 0 HG22 THR A 68 7.213 -0.948 2.783 1.00 51.13 H new ATOM 0 HG23 THR A 68 8.522 0.006 3.522 1.00 51.13 H new ATOM 1040 N LEU A 69 11.594 -3.085 1.623 1.00 21.34 N ATOM 1041 CA LEU A 69 12.498 -3.953 0.861 1.00 14.30 C ATOM 1042 C LEU A 69 12.626 -5.342 1.515 1.00 3.24 C ATOM 1043 O LEU A 69 12.440 -6.369 0.862 1.00 50.15 O ATOM 1044 CB LEU A 69 13.884 -3.295 0.746 1.00 33.22 C ATOM 1045 CG LEU A 69 14.926 -4.074 -0.077 1.00 74.43 C ATOM 1046 CD1 LEU A 69 14.497 -4.183 -1.540 1.00 20.02 C ATOM 1047 CD2 LEU A 69 16.302 -3.417 0.035 1.00 23.14 C ATOM 0 H LEU A 69 12.009 -2.198 1.907 1.00 21.34 H new ATOM 0 HA LEU A 69 12.077 -4.088 -0.135 1.00 14.30 H new ATOM 0 HB2 LEU A 69 13.761 -2.307 0.301 1.00 33.22 H new ATOM 0 HB3 LEU A 69 14.279 -3.145 1.751 1.00 33.22 H new ATOM 0 HG LEU A 69 14.993 -5.083 0.331 1.00 74.43 H new ATOM 0 HD11 LEU A 69 15.250 -4.738 -2.100 1.00 20.02 H new ATOM 0 HD12 LEU A 69 13.542 -4.705 -1.601 1.00 20.02 H new ATOM 0 HD13 LEU A 69 14.392 -3.184 -1.964 1.00 20.02 H new ATOM 0 HD21 LEU A 69 17.024 -3.983 -0.554 1.00 23.14 H new ATOM 0 HD22 LEU A 69 16.249 -2.395 -0.340 1.00 23.14 H new ATOM 0 HD23 LEU A 69 16.615 -3.404 1.079 1.00 23.14 H new ATOM 1059 N LYS A 70 12.923 -5.362 2.814 1.00 32.51 N ATOM 1060 CA LYS A 70 13.114 -6.619 3.552 1.00 74.11 C ATOM 1061 C LYS A 70 11.853 -7.506 3.528 1.00 75.15 C ATOM 1062 O LYS A 70 11.933 -8.704 3.253 1.00 11.41 O ATOM 1063 CB LYS A 70 13.519 -6.318 5.003 1.00 13.50 C ATOM 1064 CG LYS A 70 14.792 -5.484 5.118 1.00 61.52 C ATOM 1065 CD LYS A 70 15.140 -5.154 6.570 1.00 64.10 C ATOM 1066 CE LYS A 70 15.595 -6.383 7.353 1.00 33.43 C ATOM 1067 NZ LYS A 70 15.979 -6.041 8.751 1.00 24.43 N ATOM 0 H LYS A 70 13.038 -4.522 3.382 1.00 32.51 H new ATOM 0 HA LYS A 70 13.910 -7.173 3.055 1.00 74.11 H new ATOM 0 HB2 LYS A 70 12.703 -5.792 5.498 1.00 13.50 H new ATOM 0 HB3 LYS A 70 13.661 -7.259 5.535 1.00 13.50 H new ATOM 0 HG2 LYS A 70 15.621 -6.025 4.662 1.00 61.52 H new ATOM 0 HG3 LYS A 70 14.669 -4.558 4.557 1.00 61.52 H new ATOM 0 HD2 LYS A 70 15.928 -4.402 6.590 1.00 64.10 H new ATOM 0 HD3 LYS A 70 14.270 -4.717 7.059 1.00 64.10 H new ATOM 0 HE2 LYS A 70 14.793 -7.121 7.367 1.00 33.43 H new ATOM 0 HE3 LYS A 70 16.443 -6.843 6.846 1.00 33.43 H new ATOM 0 HZ1 LYS A 70 16.282 -6.903 9.249 1.00 24.43 H new ATOM 0 HZ2 LYS A 70 16.761 -5.356 8.738 1.00 24.43 H new ATOM 0 HZ3 LYS A 70 15.163 -5.626 9.244 1.00 24.43 H new ATOM 1081 N LEU A 71 10.694 -6.910 3.801 1.00 33.12 N ATOM 1082 CA LEU A 71 9.427 -7.655 3.833 1.00 33.23 C ATOM 1083 C LEU A 71 9.044 -8.186 2.443 1.00 62.44 C ATOM 1084 O LEU A 71 8.698 -9.358 2.286 1.00 35.35 O ATOM 1085 CB LEU A 71 8.300 -6.762 4.382 1.00 21.43 C ATOM 1086 CG LEU A 71 6.896 -7.398 4.404 1.00 5.22 C ATOM 1087 CD1 LEU A 71 6.873 -8.646 5.286 1.00 25.33 C ATOM 1088 CD2 LEU A 71 5.852 -6.384 4.869 1.00 51.24 C ATOM 0 H LEU A 71 10.601 -5.915 4.004 1.00 33.12 H new ATOM 0 HA LEU A 71 9.565 -8.512 4.492 1.00 33.23 H new ATOM 0 HB2 LEU A 71 8.560 -6.463 5.398 1.00 21.43 H new ATOM 0 HB3 LEU A 71 8.258 -5.852 3.783 1.00 21.43 H new ATOM 0 HG LEU A 71 6.647 -7.702 3.387 1.00 5.22 H new ATOM 0 HD11 LEU A 71 5.871 -9.075 5.284 1.00 25.33 H new ATOM 0 HD12 LEU A 71 7.582 -9.378 4.899 1.00 25.33 H new ATOM 0 HD13 LEU A 71 7.150 -8.376 6.305 1.00 25.33 H new ATOM 0 HD21 LEU A 71 4.868 -6.853 4.877 1.00 51.24 H new ATOM 0 HD22 LEU A 71 6.100 -6.042 5.874 1.00 51.24 H new ATOM 0 HD23 LEU A 71 5.843 -5.533 4.188 1.00 51.24 H new ATOM 1100 N ALA A 72 9.119 -7.325 1.436 1.00 53.30 N ATOM 1101 CA ALA A 72 8.733 -7.704 0.076 1.00 54.25 C ATOM 1102 C ALA A 72 9.599 -8.849 -0.477 1.00 10.33 C ATOM 1103 O ALA A 72 9.117 -9.674 -1.252 1.00 65.42 O ATOM 1104 CB ALA A 72 8.800 -6.493 -0.845 1.00 30.23 C ATOM 0 H ALA A 72 9.442 -6.362 1.531 1.00 53.30 H new ATOM 0 HA ALA A 72 7.707 -8.069 0.117 1.00 54.25 H new ATOM 0 HB1 ALA A 72 8.511 -6.787 -1.854 1.00 30.23 H new ATOM 0 HB2 ALA A 72 8.120 -5.722 -0.483 1.00 30.23 H new ATOM 0 HB3 ALA A 72 9.817 -6.102 -0.859 1.00 30.23 H new ATOM 1110 N ARG A 73 10.878 -8.898 -0.077 1.00 3.02 N ATOM 1111 CA ARG A 73 11.800 -9.942 -0.560 1.00 14.32 C ATOM 1112 C ARG A 73 11.308 -11.352 -0.207 1.00 1.03 C ATOM 1113 O ARG A 73 11.267 -12.235 -1.063 1.00 21.34 O ATOM 1114 CB ARG A 73 13.220 -9.737 -0.002 1.00 12.14 C ATOM 1115 CG ARG A 73 13.969 -8.570 -0.632 1.00 43.21 C ATOM 1116 CD ARG A 73 15.438 -8.544 -0.226 1.00 40.13 C ATOM 1117 NE ARG A 73 15.630 -8.355 1.212 1.00 72.22 N ATOM 1118 CZ ARG A 73 16.714 -7.846 1.739 1.00 31.30 C ATOM 1119 NH1 ARG A 73 17.719 -7.517 0.988 1.00 62.44 N ATOM 1120 NH2 ARG A 73 16.801 -7.693 3.020 1.00 50.22 N ATOM 0 H ARG A 73 11.297 -8.234 0.574 1.00 3.02 H new ATOM 0 HA ARG A 73 11.828 -9.851 -1.646 1.00 14.32 H new ATOM 0 HB2 ARG A 73 13.157 -9.577 1.074 1.00 12.14 H new ATOM 0 HB3 ARG A 73 13.795 -10.650 -0.155 1.00 12.14 H new ATOM 0 HG2 ARG A 73 13.895 -8.636 -1.717 1.00 43.21 H new ATOM 0 HG3 ARG A 73 13.495 -7.634 -0.336 1.00 43.21 H new ATOM 0 HD2 ARG A 73 15.910 -9.478 -0.530 1.00 40.13 H new ATOM 0 HD3 ARG A 73 15.944 -7.742 -0.763 1.00 40.13 H new ATOM 0 HE ARG A 73 14.876 -8.636 1.839 1.00 72.22 H new ATOM 0 HH11 ARG A 73 17.668 -7.654 -0.021 1.00 62.44 H new ATOM 0 HH12 ARG A 73 18.560 -7.121 1.407 1.00 62.44 H new ATOM 0 HH21 ARG A 73 16.024 -7.969 3.621 1.00 50.22 H new ATOM 0 HH22 ARG A 73 17.646 -7.296 3.430 1.00 50.22 H new ATOM 1134 N GLN A 74 10.930 -11.560 1.048 1.00 73.21 N ATOM 1135 CA GLN A 74 10.446 -12.873 1.491 1.00 1.32 C ATOM 1136 C GLN A 74 9.061 -13.193 0.898 1.00 44.33 C ATOM 1137 O GLN A 74 8.594 -14.332 0.963 1.00 75.35 O ATOM 1138 CB GLN A 74 10.408 -12.937 3.020 1.00 24.51 C ATOM 1139 CG GLN A 74 9.446 -11.949 3.657 1.00 45.12 C ATOM 1140 CD GLN A 74 9.384 -12.096 5.162 1.00 52.24 C ATOM 1141 OE1 GLN A 74 8.583 -12.854 5.688 1.00 60.01 O ATOM 1142 NE2 GLN A 74 10.241 -11.389 5.867 1.00 32.13 N ATOM 0 H GLN A 74 10.947 -10.846 1.776 1.00 73.21 H new ATOM 0 HA GLN A 74 11.142 -13.628 1.126 1.00 1.32 H new ATOM 0 HB2 GLN A 74 10.130 -13.946 3.324 1.00 24.51 H new ATOM 0 HB3 GLN A 74 11.411 -12.752 3.406 1.00 24.51 H new ATOM 0 HG2 GLN A 74 9.752 -10.934 3.406 1.00 45.12 H new ATOM 0 HG3 GLN A 74 8.450 -12.094 3.239 1.00 45.12 H new ATOM 0 HE21 GLN A 74 10.897 -10.765 5.396 1.00 32.13 H new ATOM 0 HE22 GLN A 74 10.250 -11.465 6.884 1.00 32.13 H new ATOM 1151 N TRP A 75 8.402 -12.174 0.338 1.00 43.34 N ATOM 1152 CA TRP A 75 7.141 -12.367 -0.389 1.00 42.01 C ATOM 1153 C TRP A 75 7.395 -12.476 -1.904 1.00 14.34 C ATOM 1154 O TRP A 75 6.547 -12.966 -2.654 1.00 62.53 O ATOM 1155 CB TRP A 75 6.184 -11.190 -0.123 1.00 34.24 C ATOM 1156 CG TRP A 75 5.712 -11.064 1.300 1.00 74.43 C ATOM 1157 CD1 TRP A 75 6.231 -11.676 2.406 1.00 44.21 C ATOM 1158 CD2 TRP A 75 4.619 -10.263 1.764 1.00 5.34 C ATOM 1159 NE1 TRP A 75 5.530 -11.302 3.526 1.00 3.21 N ATOM 1160 CE2 TRP A 75 4.534 -10.434 3.158 1.00 44.41 C ATOM 1161 CE3 TRP A 75 3.704 -9.413 1.135 1.00 54.22 C ATOM 1162 CZ2 TRP A 75 3.573 -9.792 3.931 1.00 12.53 C ATOM 1163 CZ3 TRP A 75 2.750 -8.775 1.904 1.00 23.20 C ATOM 1164 CH2 TRP A 75 2.691 -8.968 3.289 1.00 74.33 C ATOM 0 H TRP A 75 8.720 -11.206 0.374 1.00 43.34 H new ATOM 0 HA TRP A 75 6.689 -13.293 -0.034 1.00 42.01 H new ATOM 0 HB2 TRP A 75 6.683 -10.264 -0.408 1.00 34.24 H new ATOM 0 HB3 TRP A 75 5.314 -11.295 -0.771 1.00 34.24 H new ATOM 0 HD1 TRP A 75 7.071 -12.355 2.400 1.00 44.21 H new ATOM 0 HE1 TRP A 75 5.719 -11.618 4.477 1.00 3.21 H new ATOM 0 HE3 TRP A 75 3.742 -9.258 0.067 1.00 54.22 H new ATOM 0 HZ2 TRP A 75 3.525 -9.939 5.000 1.00 12.53 H new ATOM 0 HZ3 TRP A 75 2.038 -8.117 1.429 1.00 23.20 H new ATOM 0 HH2 TRP A 75 1.933 -8.455 3.862 1.00 74.33 H new ATOM 1175 N GLY A 76 8.576 -12.033 -2.339 1.00 63.51 N ATOM 1176 CA GLY A 76 8.921 -12.039 -3.758 1.00 14.15 C ATOM 1177 C GLY A 76 7.993 -11.173 -4.613 1.00 11.05 C ATOM 1178 O GLY A 76 7.534 -11.609 -5.672 1.00 20.23 O ATOM 0 H GLY A 76 9.307 -11.667 -1.729 1.00 63.51 H new ATOM 0 HA2 GLY A 76 9.946 -11.687 -3.877 1.00 14.15 H new ATOM 0 HA3 GLY A 76 8.891 -13.064 -4.127 1.00 14.15 H new ATOM 1182 N VAL A 77 7.720 -9.943 -4.160 1.00 71.41 N ATOM 1183 CA VAL A 77 6.784 -9.045 -4.862 1.00 23.34 C ATOM 1184 C VAL A 77 7.458 -7.735 -5.332 1.00 41.15 C ATOM 1185 O VAL A 77 7.923 -7.638 -6.467 1.00 21.20 O ATOM 1186 CB VAL A 77 5.551 -8.710 -3.976 1.00 4.24 C ATOM 1187 CG1 VAL A 77 4.575 -7.788 -4.708 1.00 31.45 C ATOM 1188 CG2 VAL A 77 4.847 -9.988 -3.521 1.00 22.24 C ATOM 0 H VAL A 77 8.130 -9.545 -3.315 1.00 71.41 H new ATOM 0 HA VAL A 77 6.453 -9.587 -5.748 1.00 23.34 H new ATOM 0 HB VAL A 77 5.911 -8.182 -3.093 1.00 4.24 H new ATOM 0 HG11 VAL A 77 3.724 -7.573 -4.062 1.00 31.45 H new ATOM 0 HG12 VAL A 77 5.079 -6.857 -4.967 1.00 31.45 H new ATOM 0 HG13 VAL A 77 4.226 -8.277 -5.618 1.00 31.45 H new ATOM 0 HG21 VAL A 77 3.988 -9.729 -2.902 1.00 22.24 H new ATOM 0 HG22 VAL A 77 4.511 -10.549 -4.393 1.00 22.24 H new ATOM 0 HG23 VAL A 77 5.540 -10.599 -2.942 1.00 22.24 H new ATOM 1198 N GLY A 78 7.514 -6.728 -4.460 1.00 42.20 N ATOM 1199 CA GLY A 78 8.059 -5.427 -4.850 1.00 52.03 C ATOM 1200 C GLY A 78 9.479 -5.200 -4.351 1.00 73.05 C ATOM 1201 O GLY A 78 9.678 -4.714 -3.243 1.00 72.04 O ATOM 0 H GLY A 78 7.194 -6.785 -3.493 1.00 42.20 H new ATOM 0 HA2 GLY A 78 8.045 -5.345 -5.937 1.00 52.03 H new ATOM 0 HA3 GLY A 78 7.414 -4.639 -4.462 1.00 52.03 H new ATOM 1205 N ASN A 79 10.472 -5.571 -5.161 1.00 42.12 N ATOM 1206 CA ASN A 79 11.888 -5.412 -4.778 1.00 34.25 C ATOM 1207 C ASN A 79 12.779 -5.142 -5.992 1.00 34.43 C ATOM 1208 O ASN A 79 13.979 -5.385 -5.930 1.00 32.44 O ATOM 1209 CB ASN A 79 12.401 -6.683 -4.089 1.00 62.45 C ATOM 1210 CG ASN A 79 11.572 -7.075 -2.894 1.00 22.43 C ATOM 1211 OD1 ASN A 79 11.875 -6.493 -1.753 1.00 72.21 O flip ATOM 1212 ND2 ASN A 79 10.656 -7.881 -2.997 1.00 75.31 N flip ATOM 0 H ASN A 79 10.330 -5.982 -6.083 1.00 42.12 H new ATOM 0 HA ASN A 79 11.936 -4.560 -4.100 1.00 34.25 H new ATOM 0 HB2 ASN A 79 12.406 -7.503 -4.807 1.00 62.45 H new ATOM 0 HB3 ASN A 79 13.433 -6.529 -3.774 1.00 62.45 H new ATOM 0 HD21 ASN A 79 10.453 -8.310 -3.900 1.00 75.31 H new ATOM 0 HD22 ASN A 79 10.096 -8.123 -2.180 1.00 75.31 H new ATOM 1219 N GLU A 80 12.201 -4.627 -7.076 1.00 13.10 N ATOM 1220 CA GLU A 80 12.895 -4.536 -8.375 1.00 11.34 C ATOM 1221 C GLU A 80 13.091 -5.929 -9.007 1.00 51.34 C ATOM 1222 O GLU A 80 12.702 -6.156 -10.152 1.00 43.11 O ATOM 1223 CB GLU A 80 14.255 -3.822 -8.249 1.00 24.23 C ATOM 1224 CG GLU A 80 15.054 -3.786 -9.552 1.00 42.21 C ATOM 1225 CD GLU A 80 16.462 -3.240 -9.368 1.00 4.02 C ATOM 1226 OE1 GLU A 80 16.642 -2.003 -9.420 1.00 43.15 O ATOM 1227 OE2 GLU A 80 17.395 -4.045 -9.171 1.00 4.43 O ATOM 0 H GLU A 80 11.248 -4.262 -7.087 1.00 13.10 H new ATOM 0 HA GLU A 80 12.257 -3.942 -9.029 1.00 11.34 H new ATOM 0 HB2 GLU A 80 14.089 -2.801 -7.907 1.00 24.23 H new ATOM 0 HB3 GLU A 80 14.848 -4.322 -7.483 1.00 24.23 H new ATOM 0 HG2 GLU A 80 15.111 -4.793 -9.965 1.00 42.21 H new ATOM 0 HG3 GLU A 80 14.524 -3.172 -10.280 1.00 42.21 H new ATOM 1234 N LYS A 81 13.683 -6.861 -8.253 1.00 64.35 N ATOM 1235 CA LYS A 81 13.949 -8.216 -8.756 1.00 3.35 C ATOM 1236 C LYS A 81 12.656 -9.059 -8.802 1.00 45.35 C ATOM 1237 O LYS A 81 12.455 -9.986 -8.016 1.00 41.24 O ATOM 1238 CB LYS A 81 15.035 -8.908 -7.912 1.00 20.34 C ATOM 1239 CG LYS A 81 16.285 -8.044 -7.688 1.00 62.00 C ATOM 1240 CD LYS A 81 16.206 -7.250 -6.381 1.00 71.04 C ATOM 1241 CE LYS A 81 16.944 -5.913 -6.458 1.00 53.34 C ATOM 1242 NZ LYS A 81 18.396 -6.068 -6.743 1.00 52.11 N ATOM 0 H LYS A 81 13.988 -6.704 -7.292 1.00 64.35 H new ATOM 0 HA LYS A 81 14.320 -8.129 -9.777 1.00 3.35 H new ATOM 0 HB2 LYS A 81 14.613 -9.179 -6.944 1.00 20.34 H new ATOM 0 HB3 LYS A 81 15.328 -9.836 -8.403 1.00 20.34 H new ATOM 0 HG2 LYS A 81 17.169 -8.682 -7.672 1.00 62.00 H new ATOM 0 HG3 LYS A 81 16.404 -7.355 -8.524 1.00 62.00 H new ATOM 0 HD2 LYS A 81 15.160 -7.069 -6.133 1.00 71.04 H new ATOM 0 HD3 LYS A 81 16.627 -7.847 -5.572 1.00 71.04 H new ATOM 0 HE2 LYS A 81 16.490 -5.298 -7.235 1.00 53.34 H new ATOM 0 HE3 LYS A 81 16.819 -5.380 -5.515 1.00 53.34 H new ATOM 0 HZ1 LYS A 81 18.850 -5.132 -6.750 1.00 52.11 H new ATOM 0 HZ2 LYS A 81 18.833 -6.660 -6.008 1.00 52.11 H new ATOM 0 HZ3 LYS A 81 18.521 -6.521 -7.671 1.00 52.11 H new ATOM 1256 N ASN A 82 11.788 -8.679 -9.732 1.00 12.44 N ATOM 1257 CA ASN A 82 10.491 -9.321 -9.984 1.00 73.10 C ATOM 1258 C ASN A 82 9.807 -8.551 -11.110 1.00 11.41 C ATOM 1259 O ASN A 82 10.234 -7.451 -11.444 1.00 4.40 O ATOM 1260 CB ASN A 82 9.587 -9.303 -8.736 1.00 12.35 C ATOM 1261 CG ASN A 82 8.285 -10.071 -8.937 1.00 24.31 C ATOM 1262 OD1 ASN A 82 8.222 -11.021 -9.709 1.00 42.44 O ATOM 1263 ND2 ASN A 82 7.237 -9.655 -8.256 1.00 11.11 N ATOM 0 H ASN A 82 11.967 -7.891 -10.354 1.00 12.44 H new ATOM 0 HA ASN A 82 10.657 -10.365 -10.251 1.00 73.10 H new ATOM 0 HB2 ASN A 82 10.130 -9.732 -7.894 1.00 12.35 H new ATOM 0 HB3 ASN A 82 9.357 -8.270 -8.474 1.00 12.35 H new ATOM 0 HD21 ASN A 82 6.339 -10.127 -8.363 1.00 11.11 H new ATOM 0 HD22 ASN A 82 7.323 -8.861 -7.622 1.00 11.11 H new ATOM 1270 N ASN A 83 8.755 -9.094 -11.694 1.00 34.12 N ATOM 1271 CA ASN A 83 8.035 -8.367 -12.735 1.00 4.01 C ATOM 1272 C ASN A 83 7.166 -7.235 -12.138 1.00 2.33 C ATOM 1273 O ASN A 83 7.670 -6.355 -11.438 1.00 1.34 O ATOM 1274 CB ASN A 83 7.208 -9.329 -13.595 1.00 44.24 C ATOM 1275 CG ASN A 83 6.338 -10.299 -12.794 1.00 43.04 C ATOM 1276 OD1 ASN A 83 5.894 -9.903 -11.613 1.00 31.54 O flip ATOM 1277 ND2 ASN A 83 6.052 -11.399 -13.249 1.00 23.30 N flip ATOM 0 H ASN A 83 8.382 -10.018 -11.475 1.00 34.12 H new ATOM 0 HA ASN A 83 8.769 -7.891 -13.385 1.00 4.01 H new ATOM 0 HB2 ASN A 83 6.567 -8.747 -14.257 1.00 44.24 H new ATOM 0 HB3 ASN A 83 7.883 -9.904 -14.229 1.00 44.24 H new ATOM 0 HD21 ASN A 83 6.407 -11.681 -14.163 1.00 23.30 H new ATOM 0 HD22 ASN A 83 5.459 -12.033 -12.714 1.00 23.30 H new ATOM 1284 N ASN A 84 5.865 -7.270 -12.391 1.00 75.10 N ATOM 1285 CA ASN A 84 4.954 -6.215 -11.940 1.00 34.53 C ATOM 1286 C ASN A 84 4.498 -6.428 -10.486 1.00 35.15 C ATOM 1287 O ASN A 84 3.345 -6.763 -10.226 1.00 44.14 O ATOM 1288 CB ASN A 84 3.747 -6.124 -12.883 1.00 51.44 C ATOM 1289 CG ASN A 84 3.350 -7.479 -13.445 1.00 21.53 C ATOM 1290 OD1 ASN A 84 2.642 -8.267 -12.670 1.00 70.11 O flip ATOM 1291 ND2 ASN A 84 3.734 -7.839 -14.551 1.00 22.35 N flip ATOM 0 H ASN A 84 5.410 -8.021 -12.910 1.00 75.10 H new ATOM 0 HA ASN A 84 5.499 -5.271 -11.967 1.00 34.53 H new ATOM 0 HB2 ASN A 84 2.901 -5.694 -12.346 1.00 51.44 H new ATOM 0 HB3 ASN A 84 3.981 -5.447 -13.705 1.00 51.44 H new ATOM 0 HD21 ASN A 84 4.283 -7.205 -15.132 1.00 22.35 H new ATOM 0 HD22 ASN A 84 3.505 -8.773 -14.891 1.00 22.35 H new ATOM 1298 N GLY A 85 5.422 -6.236 -9.549 1.00 35.15 N ATOM 1299 CA GLY A 85 5.103 -6.357 -8.129 1.00 64.01 C ATOM 1300 C GLY A 85 5.055 -5.006 -7.419 1.00 44.03 C ATOM 1301 O GLY A 85 5.829 -4.100 -7.743 1.00 51.55 O ATOM 0 H GLY A 85 6.394 -5.997 -9.746 1.00 35.15 H new ATOM 0 HA2 GLY A 85 4.140 -6.856 -8.018 1.00 64.01 H new ATOM 0 HA3 GLY A 85 5.847 -6.990 -7.646 1.00 64.01 H new ATOM 1305 N LEU A 86 4.150 -4.869 -6.452 1.00 35.31 N ATOM 1306 CA LEU A 86 3.989 -3.618 -5.705 1.00 54.24 C ATOM 1307 C LEU A 86 3.613 -3.883 -4.237 1.00 64.13 C ATOM 1308 O LEU A 86 2.630 -4.567 -3.950 1.00 44.22 O ATOM 1309 CB LEU A 86 2.912 -2.745 -6.368 1.00 43.22 C ATOM 1310 CG LEU A 86 2.735 -1.342 -5.759 1.00 75.22 C ATOM 1311 CD1 LEU A 86 4.031 -0.541 -5.853 1.00 0.33 C ATOM 1312 CD2 LEU A 86 1.592 -0.596 -6.443 1.00 21.12 C ATOM 0 H LEU A 86 3.513 -5.612 -6.164 1.00 35.31 H new ATOM 0 HA LEU A 86 4.945 -3.094 -5.720 1.00 54.24 H new ATOM 0 HB2 LEU A 86 3.156 -2.636 -7.425 1.00 43.22 H new ATOM 0 HB3 LEU A 86 1.958 -3.270 -6.313 1.00 43.22 H new ATOM 0 HG LEU A 86 2.484 -1.461 -4.705 1.00 75.22 H new ATOM 0 HD11 LEU A 86 3.881 0.446 -5.416 1.00 0.33 H new ATOM 0 HD12 LEU A 86 4.820 -1.061 -5.311 1.00 0.33 H new ATOM 0 HD13 LEU A 86 4.318 -0.435 -6.899 1.00 0.33 H new ATOM 0 HD21 LEU A 86 1.485 0.393 -5.997 1.00 21.12 H new ATOM 0 HD22 LEU A 86 1.809 -0.493 -7.506 1.00 21.12 H new ATOM 0 HD23 LEU A 86 0.665 -1.154 -6.315 1.00 21.12 H new ATOM 1324 N LEU A 87 4.401 -3.342 -3.311 1.00 22.12 N ATOM 1325 CA LEU A 87 4.112 -3.466 -1.875 1.00 64.15 C ATOM 1326 C LEU A 87 3.719 -2.108 -1.272 1.00 54.24 C ATOM 1327 O LEU A 87 4.326 -1.085 -1.579 1.00 14.25 O ATOM 1328 CB LEU A 87 5.331 -4.029 -1.128 1.00 23.35 C ATOM 1329 CG LEU A 87 5.127 -4.252 0.381 1.00 64.41 C ATOM 1330 CD1 LEU A 87 4.072 -5.327 0.632 1.00 3.44 C ATOM 1331 CD2 LEU A 87 6.444 -4.620 1.061 1.00 44.01 C ATOM 0 H LEU A 87 5.246 -2.812 -3.524 1.00 22.12 H new ATOM 0 HA LEU A 87 3.273 -4.153 -1.763 1.00 64.15 H new ATOM 0 HB2 LEU A 87 5.611 -4.978 -1.585 1.00 23.35 H new ATOM 0 HB3 LEU A 87 6.170 -3.348 -1.269 1.00 23.35 H new ATOM 0 HG LEU A 87 4.772 -3.317 0.814 1.00 64.41 H new ATOM 0 HD11 LEU A 87 3.944 -5.468 1.705 1.00 3.44 H new ATOM 0 HD12 LEU A 87 3.124 -5.017 0.191 1.00 3.44 H new ATOM 0 HD13 LEU A 87 4.393 -6.265 0.179 1.00 3.44 H new ATOM 0 HD21 LEU A 87 6.273 -4.772 2.127 1.00 44.01 H new ATOM 0 HD22 LEU A 87 6.837 -5.537 0.622 1.00 44.01 H new ATOM 0 HD23 LEU A 87 7.164 -3.814 0.921 1.00 44.01 H new ATOM 1343 N LEU A 88 2.708 -2.109 -0.410 1.00 75.04 N ATOM 1344 CA LEU A 88 2.255 -0.889 0.264 1.00 42.21 C ATOM 1345 C LEU A 88 2.181 -1.104 1.783 1.00 52.51 C ATOM 1346 O LEU A 88 1.249 -1.725 2.283 1.00 12.40 O ATOM 1347 CB LEU A 88 0.880 -0.466 -0.285 1.00 55.11 C ATOM 1348 CG LEU A 88 0.241 0.759 0.393 1.00 74.14 C ATOM 1349 CD1 LEU A 88 1.131 1.990 0.238 1.00 61.12 C ATOM 1350 CD2 LEU A 88 -1.156 1.018 -0.175 1.00 13.31 C ATOM 0 H LEU A 88 2.181 -2.945 -0.158 1.00 75.04 H new ATOM 0 HA LEU A 88 2.975 -0.094 0.067 1.00 42.21 H new ATOM 0 HB2 LEU A 88 0.983 -0.257 -1.350 1.00 55.11 H new ATOM 0 HB3 LEU A 88 0.196 -1.309 -0.190 1.00 55.11 H new ATOM 0 HG LEU A 88 0.142 0.550 1.458 1.00 74.14 H new ATOM 0 HD11 LEU A 88 0.659 2.844 0.725 1.00 61.12 H new ATOM 0 HD12 LEU A 88 2.100 1.799 0.699 1.00 61.12 H new ATOM 0 HD13 LEU A 88 1.270 2.207 -0.821 1.00 61.12 H new ATOM 0 HD21 LEU A 88 -1.593 1.888 0.316 1.00 13.31 H new ATOM 0 HD22 LEU A 88 -1.084 1.204 -1.247 1.00 13.31 H new ATOM 0 HD23 LEU A 88 -1.787 0.147 0.001 1.00 13.31 H new ATOM 1362 N VAL A 89 3.171 -0.595 2.515 1.00 34.41 N ATOM 1363 CA VAL A 89 3.231 -0.789 3.973 1.00 2.12 C ATOM 1364 C VAL A 89 2.841 0.485 4.742 1.00 13.22 C ATOM 1365 O VAL A 89 3.481 1.526 4.603 1.00 54.10 O ATOM 1366 CB VAL A 89 4.645 -1.238 4.430 1.00 24.31 C ATOM 1367 CG1 VAL A 89 4.690 -1.434 5.947 1.00 1.21 C ATOM 1368 CG2 VAL A 89 5.061 -2.520 3.710 1.00 41.25 C ATOM 0 H VAL A 89 3.941 -0.047 2.130 1.00 34.41 H new ATOM 0 HA VAL A 89 2.510 -1.573 4.202 1.00 2.12 H new ATOM 0 HB VAL A 89 5.352 -0.451 4.168 1.00 24.31 H new ATOM 0 HG11 VAL A 89 5.691 -1.749 6.244 1.00 1.21 H new ATOM 0 HG12 VAL A 89 4.443 -0.495 6.443 1.00 1.21 H new ATOM 0 HG13 VAL A 89 3.969 -2.198 6.237 1.00 1.21 H new ATOM 0 HG21 VAL A 89 6.055 -2.819 4.044 1.00 41.25 H new ATOM 0 HG22 VAL A 89 4.348 -3.313 3.938 1.00 41.25 H new ATOM 0 HG23 VAL A 89 5.077 -2.344 2.634 1.00 41.25 H new ATOM 1378 N LEU A 90 1.784 0.388 5.550 1.00 53.14 N ATOM 1379 CA LEU A 90 1.360 1.488 6.426 1.00 61.33 C ATOM 1380 C LEU A 90 1.865 1.278 7.862 1.00 43.22 C ATOM 1381 O LEU A 90 1.478 0.322 8.541 1.00 52.20 O ATOM 1382 CB LEU A 90 -0.172 1.616 6.439 1.00 4.21 C ATOM 1383 CG LEU A 90 -0.733 2.618 7.470 1.00 24.21 C ATOM 1384 CD1 LEU A 90 -0.382 4.059 7.106 1.00 5.03 C ATOM 1385 CD2 LEU A 90 -2.242 2.456 7.621 1.00 1.30 C ATOM 0 H LEU A 90 1.201 -0.446 5.618 1.00 53.14 H new ATOM 0 HA LEU A 90 1.794 2.406 6.030 1.00 61.33 H new ATOM 0 HB2 LEU A 90 -0.505 1.915 5.445 1.00 4.21 H new ATOM 0 HB3 LEU A 90 -0.602 0.634 6.637 1.00 4.21 H new ATOM 0 HG LEU A 90 -0.263 2.395 8.428 1.00 24.21 H new ATOM 0 HD11 LEU A 90 -0.794 4.734 7.856 1.00 5.03 H new ATOM 0 HD12 LEU A 90 0.702 4.172 7.073 1.00 5.03 H new ATOM 0 HD13 LEU A 90 -0.802 4.300 6.130 1.00 5.03 H new ATOM 0 HD21 LEU A 90 -2.613 3.173 8.353 1.00 1.30 H new ATOM 0 HD22 LEU A 90 -2.725 2.635 6.660 1.00 1.30 H new ATOM 0 HD23 LEU A 90 -2.467 1.444 7.958 1.00 1.30 H new ATOM 1397 N VAL A 91 2.728 2.176 8.318 1.00 53.11 N ATOM 1398 CA VAL A 91 3.237 2.140 9.691 1.00 34.54 C ATOM 1399 C VAL A 91 2.512 3.169 10.575 1.00 2.15 C ATOM 1400 O VAL A 91 2.776 4.366 10.483 1.00 52.04 O ATOM 1401 CB VAL A 91 4.765 2.405 9.719 1.00 55.34 C ATOM 1402 CG1 VAL A 91 5.284 2.524 11.152 1.00 73.34 C ATOM 1403 CG2 VAL A 91 5.510 1.307 8.964 1.00 45.41 C ATOM 0 H VAL A 91 3.095 2.945 7.757 1.00 53.11 H new ATOM 0 HA VAL A 91 3.045 1.143 10.088 1.00 34.54 H new ATOM 0 HB VAL A 91 4.950 3.357 9.221 1.00 55.34 H new ATOM 0 HG11 VAL A 91 6.358 2.710 11.136 1.00 73.34 H new ATOM 0 HG12 VAL A 91 4.781 3.350 11.654 1.00 73.34 H new ATOM 0 HG13 VAL A 91 5.084 1.597 11.690 1.00 73.34 H new ATOM 0 HG21 VAL A 91 6.581 1.508 8.993 1.00 45.41 H new ATOM 0 HG22 VAL A 91 5.309 0.343 9.431 1.00 45.41 H new ATOM 0 HG23 VAL A 91 5.173 1.285 7.928 1.00 45.41 H new ATOM 1413 N LEU A 92 1.599 2.692 11.429 1.00 32.31 N ATOM 1414 CA LEU A 92 0.813 3.573 12.311 1.00 1.24 C ATOM 1415 C LEU A 92 1.721 4.460 13.183 1.00 32.25 C ATOM 1416 O LEU A 92 1.466 5.651 13.352 1.00 15.35 O ATOM 1417 CB LEU A 92 -0.120 2.731 13.199 1.00 24.11 C ATOM 1418 CG LEU A 92 -0.956 3.518 14.225 1.00 43.13 C ATOM 1419 CD1 LEU A 92 -1.869 4.528 13.533 1.00 43.54 C ATOM 1420 CD2 LEU A 92 -1.768 2.562 15.100 1.00 71.54 C ATOM 0 H LEU A 92 1.384 1.700 11.531 1.00 32.31 H new ATOM 0 HA LEU A 92 0.215 4.231 11.681 1.00 1.24 H new ATOM 0 HB2 LEU A 92 -0.800 2.174 12.554 1.00 24.11 H new ATOM 0 HB3 LEU A 92 0.483 1.998 13.735 1.00 24.11 H new ATOM 0 HG LEU A 92 -0.271 4.074 14.865 1.00 43.13 H new ATOM 0 HD11 LEU A 92 -2.447 5.069 14.282 1.00 43.54 H new ATOM 0 HD12 LEU A 92 -1.265 5.233 12.962 1.00 43.54 H new ATOM 0 HD13 LEU A 92 -2.548 4.004 12.860 1.00 43.54 H new ATOM 0 HD21 LEU A 92 -2.353 3.135 15.819 1.00 71.54 H new ATOM 0 HD22 LEU A 92 -2.439 1.975 14.472 1.00 71.54 H new ATOM 0 HD23 LEU A 92 -1.092 1.893 15.633 1.00 71.54 H new ATOM 1432 N ASP A 93 2.786 3.865 13.719 1.00 21.00 N ATOM 1433 CA ASP A 93 3.783 4.594 14.525 1.00 51.43 C ATOM 1434 C ASP A 93 4.290 5.859 13.801 1.00 11.11 C ATOM 1435 O ASP A 93 4.537 6.898 14.423 1.00 62.14 O ATOM 1436 CB ASP A 93 4.960 3.658 14.841 1.00 73.04 C ATOM 1437 CG ASP A 93 6.058 4.328 15.653 1.00 13.10 C ATOM 1438 OD1 ASP A 93 5.931 4.392 16.895 1.00 42.55 O ATOM 1439 OD2 ASP A 93 7.055 4.783 15.051 1.00 74.21 O ATOM 0 H ASP A 93 2.988 2.871 13.612 1.00 21.00 H new ATOM 0 HA ASP A 93 3.305 4.918 15.450 1.00 51.43 H new ATOM 0 HB2 ASP A 93 4.590 2.791 15.389 1.00 73.04 H new ATOM 0 HB3 ASP A 93 5.382 3.288 13.907 1.00 73.04 H new ATOM 1444 N GLN A 94 4.433 5.761 12.483 1.00 24.51 N ATOM 1445 CA GLN A 94 4.960 6.859 11.665 1.00 31.22 C ATOM 1446 C GLN A 94 3.851 7.551 10.846 1.00 64.24 C ATOM 1447 O GLN A 94 4.081 8.601 10.244 1.00 14.34 O ATOM 1448 CB GLN A 94 6.044 6.310 10.729 1.00 34.41 C ATOM 1449 CG GLN A 94 7.251 5.725 11.462 1.00 30.42 C ATOM 1450 CD GLN A 94 8.195 4.955 10.549 1.00 74.20 C ATOM 1451 OE1 GLN A 94 8.300 5.227 9.360 1.00 62.31 O ATOM 1452 NE2 GLN A 94 8.895 3.989 11.106 1.00 32.54 N ATOM 0 H GLN A 94 4.190 4.926 11.950 1.00 24.51 H new ATOM 0 HA GLN A 94 5.384 7.610 12.331 1.00 31.22 H new ATOM 0 HB2 GLN A 94 5.607 5.539 10.094 1.00 34.41 H new ATOM 0 HB3 GLN A 94 6.383 7.110 10.071 1.00 34.41 H new ATOM 0 HG2 GLN A 94 7.801 6.533 11.944 1.00 30.42 H new ATOM 0 HG3 GLN A 94 6.901 5.062 12.253 1.00 30.42 H new ATOM 0 HE21 GLN A 94 8.785 3.787 12.100 1.00 32.54 H new ATOM 0 HE22 GLN A 94 9.548 3.443 10.544 1.00 32.54 H new ATOM 1461 N ARG A 95 2.659 6.946 10.826 1.00 22.21 N ATOM 1462 CA ARG A 95 1.501 7.468 10.076 1.00 24.20 C ATOM 1463 C ARG A 95 1.823 7.730 8.595 1.00 70.30 C ATOM 1464 O ARG A 95 1.282 8.650 7.982 1.00 10.15 O ATOM 1465 CB ARG A 95 0.960 8.741 10.743 1.00 64.12 C ATOM 1466 CG ARG A 95 0.402 8.502 12.142 1.00 4.43 C ATOM 1467 CD ARG A 95 -0.282 9.745 12.700 1.00 4.02 C ATOM 1468 NE ARG A 95 0.647 10.856 12.891 1.00 4.15 N ATOM 1469 CZ ARG A 95 0.291 12.049 13.282 1.00 1.01 C ATOM 1470 NH1 ARG A 95 -0.956 12.331 13.500 1.00 72.34 N ATOM 1471 NH2 ARG A 95 1.190 12.964 13.449 1.00 41.21 N ATOM 0 H ARG A 95 2.465 6.080 11.328 1.00 22.21 H new ATOM 0 HA ARG A 95 0.732 6.695 10.100 1.00 24.20 H new ATOM 0 HB2 ARG A 95 1.759 9.480 10.800 1.00 64.12 H new ATOM 0 HB3 ARG A 95 0.177 9.166 10.115 1.00 64.12 H new ATOM 0 HG2 ARG A 95 -0.310 7.678 12.113 1.00 4.43 H new ATOM 0 HG3 ARG A 95 1.210 8.202 12.809 1.00 4.43 H new ATOM 0 HD2 ARG A 95 -1.078 10.053 12.022 1.00 4.02 H new ATOM 0 HD3 ARG A 95 -0.752 9.501 13.653 1.00 4.02 H new ATOM 0 HE ARG A 95 1.636 10.689 12.707 1.00 4.15 H new ATOM 0 HH11 ARG A 95 -1.671 11.616 13.366 1.00 72.34 H new ATOM 0 HH12 ARG A 95 -1.221 13.267 13.805 1.00 72.34 H new ATOM 0 HH21 ARG A 95 2.172 12.752 13.275 1.00 41.21 H new ATOM 0 HH22 ARG A 95 0.916 13.898 13.754 1.00 41.21 H new ATOM 1485 N ARG A 96 2.673 6.886 8.013 1.00 31.14 N ATOM 1486 CA ARG A 96 3.083 7.039 6.610 1.00 75.34 C ATOM 1487 C ARG A 96 3.233 5.683 5.907 1.00 22.34 C ATOM 1488 O ARG A 96 3.335 4.638 6.557 1.00 3.14 O ATOM 1489 CB ARG A 96 4.398 7.823 6.522 1.00 52.12 C ATOM 1490 CG ARG A 96 5.560 7.170 7.268 1.00 2.11 C ATOM 1491 CD ARG A 96 6.803 8.049 7.228 1.00 54.43 C ATOM 1492 NE ARG A 96 7.900 7.515 8.030 1.00 74.54 N ATOM 1493 CZ ARG A 96 8.731 8.256 8.714 1.00 1.25 C ATOM 1494 NH1 ARG A 96 8.623 9.547 8.702 1.00 54.12 N ATOM 1495 NH2 ARG A 96 9.674 7.704 9.403 1.00 30.04 N ATOM 0 H ARG A 96 3.094 6.087 8.488 1.00 31.14 H new ATOM 0 HA ARG A 96 2.296 7.593 6.099 1.00 75.34 H new ATOM 0 HB2 ARG A 96 4.671 7.938 5.473 1.00 52.12 H new ATOM 0 HB3 ARG A 96 4.240 8.825 6.922 1.00 52.12 H new ATOM 0 HG2 ARG A 96 5.274 6.987 8.304 1.00 2.11 H new ATOM 0 HG3 ARG A 96 5.783 6.200 6.823 1.00 2.11 H new ATOM 0 HD2 ARG A 96 7.133 8.156 6.195 1.00 54.43 H new ATOM 0 HD3 ARG A 96 6.549 9.046 7.587 1.00 54.43 H new ATOM 0 HE ARG A 96 8.025 6.503 8.058 1.00 74.54 H new ATOM 0 HH11 ARG A 96 7.885 9.992 8.156 1.00 54.12 H new ATOM 0 HH12 ARG A 96 9.276 10.118 9.239 1.00 54.12 H new ATOM 0 HH21 ARG A 96 9.771 6.689 9.414 1.00 30.04 H new ATOM 0 HH22 ARG A 96 10.322 8.284 9.936 1.00 30.04 H new ATOM 1509 N VAL A 97 3.252 5.713 4.572 1.00 23.11 N ATOM 1510 CA VAL A 97 3.337 4.492 3.761 1.00 2.31 C ATOM 1511 C VAL A 97 4.389 4.626 2.643 1.00 31.14 C ATOM 1512 O VAL A 97 4.946 5.703 2.423 1.00 32.35 O ATOM 1513 CB VAL A 97 1.966 4.151 3.110 1.00 2.43 C ATOM 1514 CG1 VAL A 97 0.833 4.249 4.114 1.00 14.42 C ATOM 1515 CG2 VAL A 97 1.690 5.046 1.903 1.00 42.11 C ATOM 0 H VAL A 97 3.209 6.573 4.026 1.00 23.11 H new ATOM 0 HA VAL A 97 3.631 3.691 4.439 1.00 2.31 H new ATOM 0 HB VAL A 97 2.021 3.118 2.765 1.00 2.43 H new ATOM 0 HG11 VAL A 97 -0.109 4.004 3.624 1.00 14.42 H new ATOM 0 HG12 VAL A 97 1.010 3.550 4.931 1.00 14.42 H new ATOM 0 HG13 VAL A 97 0.784 5.264 4.509 1.00 14.42 H new ATOM 0 HG21 VAL A 97 0.725 4.784 1.469 1.00 42.11 H new ATOM 0 HG22 VAL A 97 1.675 6.089 2.219 1.00 42.11 H new ATOM 0 HG23 VAL A 97 2.473 4.904 1.158 1.00 42.11 H new ATOM 1525 N ARG A 98 4.667 3.520 1.953 1.00 22.42 N ATOM 1526 CA ARG A 98 5.515 3.539 0.749 1.00 60.02 C ATOM 1527 C ARG A 98 5.095 2.452 -0.254 1.00 74.30 C ATOM 1528 O ARG A 98 4.804 1.319 0.131 1.00 30.22 O ATOM 1529 CB ARG A 98 7.006 3.359 1.100 1.00 50.51 C ATOM 1530 CG ARG A 98 7.882 3.086 -0.128 1.00 63.22 C ATOM 1531 CD ARG A 98 9.372 3.012 0.197 1.00 42.34 C ATOM 1532 NE ARG A 98 10.145 2.495 -0.934 1.00 45.42 N ATOM 1533 CZ ARG A 98 10.584 3.213 -1.936 1.00 70.02 C ATOM 1534 NH1 ARG A 98 10.453 4.501 -1.945 1.00 23.14 N ATOM 1535 NH2 ARG A 98 11.190 2.642 -2.922 1.00 53.21 N ATOM 0 H ARG A 98 4.319 2.595 2.204 1.00 22.42 H new ATOM 0 HA ARG A 98 5.377 4.518 0.290 1.00 60.02 H new ATOM 0 HB2 ARG A 98 7.366 4.256 1.604 1.00 50.51 H new ATOM 0 HB3 ARG A 98 7.111 2.534 1.805 1.00 50.51 H new ATOM 0 HG2 ARG A 98 7.570 2.148 -0.587 1.00 63.22 H new ATOM 0 HG3 ARG A 98 7.717 3.871 -0.865 1.00 63.22 H new ATOM 0 HD2 ARG A 98 9.736 4.004 0.465 1.00 42.34 H new ATOM 0 HD3 ARG A 98 9.524 2.371 1.066 1.00 42.34 H new ATOM 0 HE ARG A 98 10.358 1.497 -0.941 1.00 45.42 H new ATOM 0 HH11 ARG A 98 10.001 4.973 -1.162 1.00 23.14 H new ATOM 0 HH12 ARG A 98 10.802 5.044 -2.735 1.00 23.14 H new ATOM 0 HH21 ARG A 98 11.327 1.631 -2.920 1.00 53.21 H new ATOM 0 HH22 ARG A 98 11.532 3.202 -3.703 1.00 53.21 H new ATOM 1549 N PHE A 99 5.069 2.814 -1.539 1.00 72.22 N ATOM 1550 CA PHE A 99 4.839 1.851 -2.624 1.00 1.11 C ATOM 1551 C PHE A 99 6.178 1.320 -3.168 1.00 2.54 C ATOM 1552 O PHE A 99 6.917 2.049 -3.826 1.00 22.31 O ATOM 1553 CB PHE A 99 4.059 2.511 -3.772 1.00 43.22 C ATOM 1554 CG PHE A 99 2.664 2.959 -3.418 1.00 32.13 C ATOM 1555 CD1 PHE A 99 2.434 4.229 -2.905 1.00 31.43 C ATOM 1556 CD2 PHE A 99 1.578 2.118 -3.623 1.00 43.51 C ATOM 1557 CE1 PHE A 99 1.153 4.645 -2.596 1.00 41.31 C ATOM 1558 CE2 PHE A 99 0.295 2.533 -3.320 1.00 2.52 C ATOM 1559 CZ PHE A 99 0.083 3.798 -2.806 1.00 63.03 C ATOM 0 H PHE A 99 5.205 3.774 -1.857 1.00 72.22 H new ATOM 0 HA PHE A 99 4.258 1.022 -2.219 1.00 1.11 H new ATOM 0 HB2 PHE A 99 4.623 3.374 -4.126 1.00 43.22 H new ATOM 0 HB3 PHE A 99 3.999 1.807 -4.602 1.00 43.22 H new ATOM 0 HD1 PHE A 99 3.266 4.899 -2.746 1.00 31.43 H new ATOM 0 HD2 PHE A 99 1.738 1.128 -4.024 1.00 43.51 H new ATOM 0 HE1 PHE A 99 0.989 5.632 -2.190 1.00 41.31 H new ATOM 0 HE2 PHE A 99 -0.541 1.869 -3.485 1.00 2.52 H new ATOM 0 HZ PHE A 99 -0.919 4.124 -2.569 1.00 63.03 H new ATOM 1569 N GLU A 100 6.494 0.060 -2.879 1.00 71.50 N ATOM 1570 CA GLU A 100 7.739 -0.556 -3.360 1.00 71.21 C ATOM 1571 C GLU A 100 7.493 -1.334 -4.666 1.00 20.32 C ATOM 1572 O GLU A 100 6.665 -2.246 -4.706 1.00 33.44 O ATOM 1573 CB GLU A 100 8.312 -1.490 -2.282 1.00 5.54 C ATOM 1574 CG GLU A 100 9.782 -1.839 -2.486 1.00 51.04 C ATOM 1575 CD GLU A 100 10.685 -0.623 -2.365 1.00 54.34 C ATOM 1576 OE1 GLU A 100 10.993 -0.224 -1.223 1.00 0.31 O ATOM 1577 OE2 GLU A 100 11.064 -0.044 -3.407 1.00 43.54 O ATOM 0 H GLU A 100 5.910 -0.558 -2.316 1.00 71.50 H new ATOM 0 HA GLU A 100 8.461 0.234 -3.566 1.00 71.21 H new ATOM 0 HB2 GLU A 100 8.192 -1.019 -1.306 1.00 5.54 H new ATOM 0 HB3 GLU A 100 7.729 -2.411 -2.265 1.00 5.54 H new ATOM 0 HG2 GLU A 100 10.081 -2.586 -1.751 1.00 51.04 H new ATOM 0 HG3 GLU A 100 9.913 -2.290 -3.470 1.00 51.04 H new ATOM 1584 N THR A 101 8.215 -0.977 -5.728 1.00 74.31 N ATOM 1585 CA THR A 101 7.957 -1.530 -7.072 1.00 44.51 C ATOM 1586 C THR A 101 8.921 -2.651 -7.479 1.00 21.24 C ATOM 1587 O THR A 101 10.000 -2.824 -6.909 1.00 44.43 O ATOM 1588 CB THR A 101 8.032 -0.432 -8.167 1.00 5.14 C ATOM 1589 OG1 THR A 101 9.178 0.405 -7.960 1.00 51.22 O ATOM 1590 CG2 THR A 101 6.765 0.410 -8.203 1.00 64.10 C ATOM 0 H THR A 101 8.984 -0.308 -5.691 1.00 74.31 H new ATOM 0 HA THR A 101 6.951 -1.944 -7.001 1.00 44.51 H new ATOM 0 HB THR A 101 8.127 -0.933 -9.130 1.00 5.14 H new ATOM 0 HG1 THR A 101 9.213 1.091 -8.659 1.00 51.22 H new ATOM 0 HG21 THR A 101 6.854 1.168 -8.981 1.00 64.10 H new ATOM 0 HG22 THR A 101 5.909 -0.230 -8.416 1.00 64.10 H new ATOM 0 HG23 THR A 101 6.624 0.896 -7.238 1.00 64.10 H new ATOM 1598 N GLY A 102 8.492 -3.427 -8.471 1.00 11.42 N ATOM 1599 CA GLY A 102 9.379 -4.357 -9.159 1.00 14.14 C ATOM 1600 C GLY A 102 9.797 -3.833 -10.529 1.00 62.04 C ATOM 1601 O GLY A 102 9.606 -2.657 -10.841 1.00 31.33 O ATOM 0 H GLY A 102 7.532 -3.429 -8.816 1.00 11.42 H new ATOM 0 HA2 GLY A 102 10.266 -4.531 -8.550 1.00 14.14 H new ATOM 0 HA3 GLY A 102 8.879 -5.318 -9.275 1.00 14.14 H new ATOM 1605 N TYR A 103 10.326 -4.713 -11.363 1.00 73.10 N ATOM 1606 CA TYR A 103 10.840 -4.334 -12.681 1.00 31.42 C ATOM 1607 C TYR A 103 9.698 -4.099 -13.689 1.00 71.23 C ATOM 1608 O TYR A 103 9.882 -3.452 -14.719 1.00 72.34 O ATOM 1609 CB TYR A 103 11.804 -5.433 -13.158 1.00 51.51 C ATOM 1610 CG TYR A 103 11.971 -5.540 -14.656 1.00 51.51 C ATOM 1611 CD1 TYR A 103 12.876 -4.742 -15.341 1.00 31.20 C ATOM 1612 CD2 TYR A 103 11.225 -6.462 -15.381 1.00 34.31 C ATOM 1613 CE1 TYR A 103 13.035 -4.859 -16.709 1.00 3.20 C ATOM 1614 CE2 TYR A 103 11.373 -6.585 -16.745 1.00 35.11 C ATOM 1615 CZ TYR A 103 12.280 -5.783 -17.407 1.00 4.32 C ATOM 1616 OH TYR A 103 12.435 -5.906 -18.770 1.00 63.05 O ATOM 0 H TYR A 103 10.414 -5.707 -11.153 1.00 73.10 H new ATOM 0 HA TYR A 103 11.376 -3.388 -12.607 1.00 31.42 H new ATOM 0 HB2 TYR A 103 12.782 -5.254 -12.712 1.00 51.51 H new ATOM 0 HB3 TYR A 103 11.451 -6.392 -12.779 1.00 51.51 H new ATOM 0 HD1 TYR A 103 13.465 -4.018 -14.797 1.00 31.20 H new ATOM 0 HD2 TYR A 103 10.516 -7.093 -14.866 1.00 34.31 H new ATOM 0 HE1 TYR A 103 13.744 -4.233 -17.229 1.00 3.20 H new ATOM 0 HE2 TYR A 103 10.783 -7.305 -17.293 1.00 35.11 H new ATOM 0 HH TYR A 103 11.831 -6.601 -19.107 1.00 63.05 H new ATOM 1626 N GLY A 104 8.511 -4.593 -13.358 1.00 61.10 N ATOM 1627 CA GLY A 104 7.368 -4.487 -14.261 1.00 34.22 C ATOM 1628 C GLY A 104 6.664 -3.137 -14.183 1.00 72.45 C ATOM 1629 O GLY A 104 5.997 -2.715 -15.126 1.00 43.43 O ATOM 0 H GLY A 104 8.314 -5.068 -12.477 1.00 61.10 H new ATOM 0 HA2 GLY A 104 7.705 -4.655 -15.284 1.00 34.22 H new ATOM 0 HA3 GLY A 104 6.654 -5.276 -14.027 1.00 34.22 H new ATOM 1633 N LEU A 105 6.822 -2.454 -13.052 1.00 71.13 N ATOM 1634 CA LEU A 105 6.180 -1.154 -12.832 1.00 3.01 C ATOM 1635 C LEU A 105 7.189 -0.010 -12.992 1.00 71.20 C ATOM 1636 O LEU A 105 6.828 1.164 -12.945 1.00 45.21 O ATOM 1637 CB LEU A 105 5.541 -1.112 -11.438 1.00 53.15 C ATOM 1638 CG LEU A 105 4.477 -2.190 -11.177 1.00 33.52 C ATOM 1639 CD1 LEU A 105 3.926 -2.071 -9.759 1.00 42.22 C ATOM 1640 CD2 LEU A 105 3.352 -2.099 -12.208 1.00 50.43 C ATOM 0 H LEU A 105 7.390 -2.778 -12.269 1.00 71.13 H new ATOM 0 HA LEU A 105 5.401 -1.024 -13.583 1.00 3.01 H new ATOM 0 HB2 LEU A 105 6.328 -1.212 -10.691 1.00 53.15 H new ATOM 0 HB3 LEU A 105 5.087 -0.132 -11.293 1.00 53.15 H new ATOM 0 HG LEU A 105 4.949 -3.168 -11.276 1.00 33.52 H new ATOM 0 HD11 LEU A 105 3.174 -2.843 -9.595 1.00 42.22 H new ATOM 0 HD12 LEU A 105 4.737 -2.196 -9.042 1.00 42.22 H new ATOM 0 HD13 LEU A 105 3.472 -1.089 -9.626 1.00 42.22 H new ATOM 0 HD21 LEU A 105 2.609 -2.871 -12.005 1.00 50.43 H new ATOM 0 HD22 LEU A 105 2.881 -1.118 -12.147 1.00 50.43 H new ATOM 0 HD23 LEU A 105 3.762 -2.244 -13.208 1.00 50.43 H new ATOM 1652 N GLU A 106 8.448 -0.375 -13.206 1.00 63.55 N ATOM 1653 CA GLU A 106 9.547 0.584 -13.374 1.00 4.45 C ATOM 1654 C GLU A 106 9.225 1.614 -14.481 1.00 54.12 C ATOM 1655 O GLU A 106 9.579 2.789 -14.379 1.00 62.31 O ATOM 1656 CB GLU A 106 10.828 -0.207 -13.715 1.00 41.43 C ATOM 1657 CG GLU A 106 12.133 0.423 -13.236 1.00 33.45 C ATOM 1658 CD GLU A 106 12.508 1.691 -13.986 1.00 31.31 C ATOM 1659 OE1 GLU A 106 12.837 1.597 -15.191 1.00 64.10 O ATOM 1660 OE2 GLU A 106 12.495 2.784 -13.375 1.00 21.04 O ATOM 0 H GLU A 106 8.742 -1.350 -13.269 1.00 63.55 H new ATOM 0 HA GLU A 106 9.690 1.145 -12.450 1.00 4.45 H new ATOM 0 HB2 GLU A 106 10.745 -1.204 -13.282 1.00 41.43 H new ATOM 0 HB3 GLU A 106 10.880 -0.332 -14.797 1.00 41.43 H new ATOM 0 HG2 GLU A 106 12.048 0.651 -12.173 1.00 33.45 H new ATOM 0 HG3 GLU A 106 12.938 -0.304 -13.343 1.00 33.45 H new ATOM 1667 N GLY A 107 8.531 1.168 -15.533 1.00 60.20 N ATOM 1668 CA GLY A 107 8.172 2.059 -16.640 1.00 44.34 C ATOM 1669 C GLY A 107 6.767 2.662 -16.521 1.00 14.44 C ATOM 1670 O GLY A 107 6.212 3.149 -17.510 1.00 34.43 O ATOM 0 H GLY A 107 8.210 0.206 -15.641 1.00 60.20 H new ATOM 0 HA2 GLY A 107 8.901 2.868 -16.693 1.00 44.34 H new ATOM 0 HA3 GLY A 107 8.241 1.505 -17.576 1.00 44.34 H new ATOM 1674 N TYR A 108 6.189 2.635 -15.318 1.00 41.01 N ATOM 1675 CA TYR A 108 4.839 3.186 -15.084 1.00 11.31 C ATOM 1676 C TYR A 108 4.776 3.977 -13.771 1.00 51.51 C ATOM 1677 O TYR A 108 4.374 5.140 -13.745 1.00 21.31 O ATOM 1678 CB TYR A 108 3.788 2.062 -15.028 1.00 45.54 C ATOM 1679 CG TYR A 108 3.773 1.159 -16.243 1.00 22.03 C ATOM 1680 CD1 TYR A 108 3.342 1.628 -17.479 1.00 52.22 C ATOM 1681 CD2 TYR A 108 4.193 -0.164 -16.153 1.00 4.51 C ATOM 1682 CE1 TYR A 108 3.334 0.807 -18.590 1.00 23.42 C ATOM 1683 CE2 TYR A 108 4.189 -0.988 -17.260 1.00 61.30 C ATOM 1684 CZ TYR A 108 3.756 -0.499 -18.474 1.00 43.13 C ATOM 1685 OH TYR A 108 3.749 -1.321 -19.577 1.00 22.21 O ATOM 0 H TYR A 108 6.629 2.239 -14.487 1.00 41.01 H new ATOM 0 HA TYR A 108 4.622 3.854 -15.918 1.00 11.31 H new ATOM 0 HB2 TYR A 108 3.970 1.455 -14.141 1.00 45.54 H new ATOM 0 HB3 TYR A 108 2.801 2.509 -14.911 1.00 45.54 H new ATOM 0 HD1 TYR A 108 3.008 2.651 -17.572 1.00 52.22 H new ATOM 0 HD2 TYR A 108 4.527 -0.552 -15.202 1.00 4.51 H new ATOM 0 HE1 TYR A 108 2.999 1.187 -19.544 1.00 23.42 H new ATOM 0 HE2 TYR A 108 4.524 -2.011 -17.176 1.00 61.30 H new ATOM 0 HH TYR A 108 4.289 -2.118 -19.395 1.00 22.21 H new ATOM 1695 N LEU A 109 5.173 3.321 -12.686 1.00 21.31 N ATOM 1696 CA LEU A 109 5.071 3.885 -11.337 1.00 52.41 C ATOM 1697 C LEU A 109 6.454 4.120 -10.701 1.00 64.02 C ATOM 1698 O LEU A 109 6.974 3.255 -9.994 1.00 65.53 O ATOM 1699 CB LEU A 109 4.256 2.927 -10.458 1.00 44.33 C ATOM 1700 CG LEU A 109 2.822 2.645 -10.942 1.00 0.01 C ATOM 1701 CD1 LEU A 109 2.287 1.359 -10.324 1.00 32.13 C ATOM 1702 CD2 LEU A 109 1.898 3.817 -10.618 1.00 32.41 C ATOM 0 H LEU A 109 5.575 2.384 -12.712 1.00 21.31 H new ATOM 0 HA LEU A 109 4.577 4.854 -11.411 1.00 52.41 H new ATOM 0 HB2 LEU A 109 4.791 1.980 -10.389 1.00 44.33 H new ATOM 0 HB3 LEU A 109 4.207 3.339 -9.450 1.00 44.33 H new ATOM 0 HG LEU A 109 2.851 2.521 -12.025 1.00 0.01 H new ATOM 0 HD11 LEU A 109 1.272 1.179 -10.680 1.00 32.13 H new ATOM 0 HD12 LEU A 109 2.926 0.524 -10.612 1.00 32.13 H new ATOM 0 HD13 LEU A 109 2.279 1.453 -9.238 1.00 32.13 H new ATOM 0 HD21 LEU A 109 0.891 3.594 -10.970 1.00 32.41 H new ATOM 0 HD22 LEU A 109 1.879 3.978 -9.540 1.00 32.41 H new ATOM 0 HD23 LEU A 109 2.264 4.717 -11.113 1.00 32.41 H new ATOM 1714 N PRO A 110 7.083 5.282 -10.960 1.00 51.22 N ATOM 1715 CA PRO A 110 8.345 5.649 -10.308 1.00 51.44 C ATOM 1716 C PRO A 110 8.130 6.227 -8.895 1.00 41.21 C ATOM 1717 O PRO A 110 7.067 6.783 -8.598 1.00 51.12 O ATOM 1718 CB PRO A 110 8.914 6.709 -11.256 1.00 45.40 C ATOM 1719 CG PRO A 110 7.708 7.374 -11.837 1.00 65.42 C ATOM 1720 CD PRO A 110 6.635 6.312 -11.919 1.00 42.13 C ATOM 0 HA PRO A 110 9.003 4.794 -10.154 1.00 51.44 H new ATOM 0 HB2 PRO A 110 9.543 7.422 -10.723 1.00 45.40 H new ATOM 0 HB3 PRO A 110 9.531 6.257 -12.032 1.00 45.40 H new ATOM 0 HG2 PRO A 110 7.384 8.206 -11.212 1.00 65.42 H new ATOM 0 HG3 PRO A 110 7.927 7.782 -12.824 1.00 65.42 H new ATOM 0 HD2 PRO A 110 5.657 6.710 -11.650 1.00 42.13 H new ATOM 0 HD3 PRO A 110 6.548 5.908 -12.928 1.00 42.13 H new ATOM 1728 N ASP A 111 9.142 6.090 -8.035 1.00 50.43 N ATOM 1729 CA ASP A 111 9.083 6.584 -6.642 1.00 12.13 C ATOM 1730 C ASP A 111 8.462 7.994 -6.531 1.00 1.42 C ATOM 1731 O ASP A 111 7.641 8.247 -5.649 1.00 20.43 O ATOM 1732 CB ASP A 111 10.487 6.592 -6.023 1.00 1.11 C ATOM 1733 CG ASP A 111 11.040 5.194 -5.801 1.00 20.23 C ATOM 1734 OD1 ASP A 111 11.245 4.468 -6.794 1.00 74.24 O ATOM 1735 OD2 ASP A 111 11.292 4.823 -4.632 1.00 24.12 O ATOM 0 H ASP A 111 10.024 5.637 -8.275 1.00 50.43 H new ATOM 0 HA ASP A 111 8.435 5.899 -6.095 1.00 12.13 H new ATOM 0 HB2 ASP A 111 11.163 7.146 -6.674 1.00 1.11 H new ATOM 0 HB3 ASP A 111 10.456 7.121 -5.071 1.00 1.11 H new ATOM 1740 N GLY A 112 8.853 8.902 -7.425 1.00 54.22 N ATOM 1741 CA GLY A 112 8.306 10.261 -7.416 1.00 43.34 C ATOM 1742 C GLY A 112 6.783 10.300 -7.557 1.00 31.45 C ATOM 1743 O GLY A 112 6.094 10.955 -6.769 1.00 23.53 O ATOM 0 H GLY A 112 9.540 8.725 -8.158 1.00 54.22 H new ATOM 0 HA2 GLY A 112 8.591 10.754 -6.487 1.00 43.34 H new ATOM 0 HA3 GLY A 112 8.754 10.831 -8.230 1.00 43.34 H new ATOM 1747 N LEU A 113 6.260 9.591 -8.559 1.00 23.52 N ATOM 1748 CA LEU A 113 4.809 9.480 -8.773 1.00 11.52 C ATOM 1749 C LEU A 113 4.121 8.834 -7.561 1.00 1.14 C ATOM 1750 O LEU A 113 3.114 9.341 -7.057 1.00 21.24 O ATOM 1751 CB LEU A 113 4.527 8.649 -10.037 1.00 1.22 C ATOM 1752 CG LEU A 113 3.045 8.307 -10.304 1.00 20.44 C ATOM 1753 CD1 LEU A 113 2.213 9.568 -10.520 1.00 32.44 C ATOM 1754 CD2 LEU A 113 2.918 7.365 -11.501 1.00 31.44 C ATOM 0 H LEU A 113 6.821 9.081 -9.241 1.00 23.52 H new ATOM 0 HA LEU A 113 4.406 10.485 -8.901 1.00 11.52 H new ATOM 0 HB2 LEU A 113 4.915 9.192 -10.899 1.00 1.22 H new ATOM 0 HB3 LEU A 113 5.088 7.717 -9.968 1.00 1.22 H new ATOM 0 HG LEU A 113 2.656 7.800 -9.421 1.00 20.44 H new ATOM 0 HD11 LEU A 113 1.175 9.292 -10.705 1.00 32.44 H new ATOM 0 HD12 LEU A 113 2.268 10.197 -9.631 1.00 32.44 H new ATOM 0 HD13 LEU A 113 2.601 10.117 -11.378 1.00 32.44 H new ATOM 0 HD21 LEU A 113 1.866 7.136 -11.673 1.00 31.44 H new ATOM 0 HD22 LEU A 113 3.335 7.844 -12.387 1.00 31.44 H new ATOM 0 HD23 LEU A 113 3.462 6.443 -11.297 1.00 31.44 H new ATOM 1766 N LEU A 114 4.679 7.720 -7.097 1.00 32.23 N ATOM 1767 CA LEU A 114 4.152 7.006 -5.930 1.00 14.43 C ATOM 1768 C LEU A 114 4.124 7.912 -4.690 1.00 31.33 C ATOM 1769 O LEU A 114 3.181 7.877 -3.898 1.00 74.13 O ATOM 1770 CB LEU A 114 5.009 5.763 -5.661 1.00 42.21 C ATOM 1771 CG LEU A 114 5.055 4.751 -6.817 1.00 71.23 C ATOM 1772 CD1 LEU A 114 6.088 3.660 -6.546 1.00 60.13 C ATOM 1773 CD2 LEU A 114 3.671 4.147 -7.055 1.00 15.31 C ATOM 0 H LEU A 114 5.503 7.286 -7.513 1.00 32.23 H new ATOM 0 HA LEU A 114 3.127 6.703 -6.143 1.00 14.43 H new ATOM 0 HB2 LEU A 114 6.026 6.082 -5.435 1.00 42.21 H new ATOM 0 HB3 LEU A 114 4.627 5.261 -4.772 1.00 42.21 H new ATOM 0 HG LEU A 114 5.357 5.279 -7.722 1.00 71.23 H new ATOM 0 HD11 LEU A 114 6.101 2.957 -7.379 1.00 60.13 H new ATOM 0 HD12 LEU A 114 7.074 4.112 -6.437 1.00 60.13 H new ATOM 0 HD13 LEU A 114 5.827 3.132 -5.629 1.00 60.13 H new ATOM 0 HD21 LEU A 114 3.722 3.433 -7.877 1.00 15.31 H new ATOM 0 HD22 LEU A 114 3.336 3.637 -6.152 1.00 15.31 H new ATOM 0 HD23 LEU A 114 2.966 4.940 -7.307 1.00 15.31 H new ATOM 1785 N SER A 115 5.161 8.731 -4.540 1.00 62.35 N ATOM 1786 CA SER A 115 5.248 9.687 -3.429 1.00 42.25 C ATOM 1787 C SER A 115 4.121 10.724 -3.496 1.00 71.42 C ATOM 1788 O SER A 115 3.574 11.130 -2.468 1.00 51.41 O ATOM 1789 CB SER A 115 6.608 10.403 -3.438 1.00 2.33 C ATOM 1790 OG SER A 115 6.706 11.354 -2.386 1.00 5.15 O ATOM 0 H SER A 115 5.959 8.755 -5.175 1.00 62.35 H new ATOM 0 HA SER A 115 5.144 9.122 -2.502 1.00 42.25 H new ATOM 0 HB2 SER A 115 7.407 9.668 -3.341 1.00 2.33 H new ATOM 0 HB3 SER A 115 6.750 10.903 -4.396 1.00 2.33 H new ATOM 0 HG SER A 115 7.583 11.790 -2.420 1.00 5.15 H new ATOM 1796 N ARG A 116 3.762 11.149 -4.710 1.00 74.05 N ATOM 1797 CA ARG A 116 2.682 12.126 -4.883 1.00 24.14 C ATOM 1798 C ARG A 116 1.313 11.506 -4.565 1.00 2.42 C ATOM 1799 O ARG A 116 0.452 12.163 -3.987 1.00 3.02 O ATOM 1800 CB ARG A 116 2.674 12.726 -6.298 1.00 74.45 C ATOM 1801 CG ARG A 116 1.623 13.820 -6.460 1.00 2.41 C ATOM 1802 CD ARG A 116 1.692 14.522 -7.807 1.00 4.14 C ATOM 1803 NE ARG A 116 0.753 15.643 -7.868 1.00 34.24 N ATOM 1804 CZ ARG A 116 0.954 16.740 -8.545 1.00 75.12 C ATOM 1805 NH1 ARG A 116 2.026 16.894 -9.251 1.00 52.30 N ATOM 1806 NH2 ARG A 116 0.072 17.683 -8.523 1.00 3.53 N ATOM 0 H ARG A 116 4.197 10.837 -5.578 1.00 74.05 H new ATOM 0 HA ARG A 116 2.872 12.933 -4.175 1.00 24.14 H new ATOM 0 HB2 ARG A 116 3.659 13.136 -6.521 1.00 74.45 H new ATOM 0 HB3 ARG A 116 2.486 11.935 -7.024 1.00 74.45 H new ATOM 0 HG2 ARG A 116 0.632 13.384 -6.335 1.00 2.41 H new ATOM 0 HG3 ARG A 116 1.749 14.557 -5.667 1.00 2.41 H new ATOM 0 HD2 ARG A 116 2.706 14.883 -7.980 1.00 4.14 H new ATOM 0 HD3 ARG A 116 1.467 13.812 -8.602 1.00 4.14 H new ATOM 0 HE ARG A 116 -0.119 15.561 -7.345 1.00 34.24 H new ATOM 0 HH11 ARG A 116 2.726 16.153 -9.283 1.00 52.30 H new ATOM 0 HH12 ARG A 116 2.171 17.756 -9.776 1.00 52.30 H new ATOM 0 HH21 ARG A 116 -0.782 17.570 -7.976 1.00 3.53 H new ATOM 0 HH22 ARG A 116 0.229 18.541 -9.052 1.00 3.53 H new ATOM 1820 N ILE A 117 1.111 10.243 -4.938 1.00 44.12 N ATOM 1821 CA ILE A 117 -0.113 9.523 -4.551 1.00 63.10 C ATOM 1822 C ILE A 117 -0.284 9.558 -3.025 1.00 74.13 C ATOM 1823 O ILE A 117 -1.376 9.806 -2.504 1.00 43.25 O ATOM 1824 CB ILE A 117 -0.092 8.046 -5.030 1.00 11.33 C ATOM 1825 CG1 ILE A 117 0.010 7.976 -6.566 1.00 0.21 C ATOM 1826 CG2 ILE A 117 -1.331 7.295 -4.534 1.00 41.14 C ATOM 1827 CD1 ILE A 117 0.030 6.564 -7.116 1.00 1.11 C ATOM 0 H ILE A 117 1.766 9.699 -5.500 1.00 44.12 H new ATOM 0 HA ILE A 117 -0.952 10.025 -5.033 1.00 63.10 H new ATOM 0 HB ILE A 117 0.788 7.563 -4.606 1.00 11.33 H new ATOM 0 HG12 ILE A 117 -0.833 8.513 -7.001 1.00 0.21 H new ATOM 0 HG13 ILE A 117 0.916 8.492 -6.884 1.00 0.21 H new ATOM 0 HG21 ILE A 117 -1.294 6.263 -4.882 1.00 41.14 H new ATOM 0 HG22 ILE A 117 -1.354 7.310 -3.444 1.00 41.14 H new ATOM 0 HG23 ILE A 117 -2.228 7.777 -4.922 1.00 41.14 H new ATOM 0 HD11 ILE A 117 0.103 6.598 -8.203 1.00 1.11 H new ATOM 0 HD12 ILE A 117 0.888 6.028 -6.711 1.00 1.11 H new ATOM 0 HD13 ILE A 117 -0.887 6.049 -6.830 1.00 1.11 H new ATOM 1839 N ILE A 118 0.819 9.331 -2.322 1.00 55.23 N ATOM 1840 CA ILE A 118 0.846 9.400 -0.863 1.00 45.54 C ATOM 1841 C ILE A 118 0.559 10.825 -0.361 1.00 64.03 C ATOM 1842 O ILE A 118 -0.337 11.040 0.450 1.00 31.22 O ATOM 1843 CB ILE A 118 2.221 8.938 -0.314 1.00 2.03 C ATOM 1844 CG1 ILE A 118 2.530 7.502 -0.778 1.00 74.14 C ATOM 1845 CG2 ILE A 118 2.257 9.035 1.213 1.00 1.41 C ATOM 1846 CD1 ILE A 118 3.910 7.014 -0.392 1.00 13.40 C ATOM 0 H ILE A 118 1.717 9.095 -2.743 1.00 55.23 H new ATOM 0 HA ILE A 118 0.065 8.733 -0.498 1.00 45.54 H new ATOM 0 HB ILE A 118 2.990 9.601 -0.712 1.00 2.03 H new ATOM 0 HG12 ILE A 118 1.786 6.827 -0.356 1.00 74.14 H new ATOM 0 HG13 ILE A 118 2.428 7.451 -1.862 1.00 74.14 H new ATOM 0 HG21 ILE A 118 3.231 8.706 1.576 1.00 1.41 H new ATOM 0 HG22 ILE A 118 2.087 10.068 1.516 1.00 1.41 H new ATOM 0 HG23 ILE A 118 1.479 8.400 1.636 1.00 1.41 H new ATOM 0 HD11 ILE A 118 4.050 5.996 -0.755 1.00 13.40 H new ATOM 0 HD12 ILE A 118 4.663 7.664 -0.836 1.00 13.40 H new ATOM 0 HD13 ILE A 118 4.011 7.030 0.693 1.00 13.40 H new ATOM 1858 N HIS A 119 1.308 11.800 -0.870 1.00 20.01 N ATOM 1859 CA HIS A 119 1.241 13.172 -0.351 1.00 73.12 C ATOM 1860 C HIS A 119 -0.092 13.870 -0.691 1.00 24.44 C ATOM 1861 O HIS A 119 -0.651 14.593 0.136 1.00 34.52 O ATOM 1862 CB HIS A 119 2.425 14.000 -0.877 1.00 45.44 C ATOM 1863 CG HIS A 119 2.930 14.994 0.123 1.00 55.22 C ATOM 1864 ND1 HIS A 119 2.210 16.101 0.516 1.00 74.43 N ATOM 1865 CD2 HIS A 119 4.075 15.021 0.848 1.00 74.23 C ATOM 1866 CE1 HIS A 119 2.882 16.760 1.436 1.00 21.14 C ATOM 1867 NE2 HIS A 119 4.014 16.127 1.654 1.00 44.10 N ATOM 0 H HIS A 119 1.967 11.671 -1.638 1.00 20.01 H new ATOM 0 HA HIS A 119 1.298 13.105 0.735 1.00 73.12 H new ATOM 0 HB2 HIS A 119 3.237 13.328 -1.156 1.00 45.44 H new ATOM 0 HB3 HIS A 119 2.121 14.525 -1.782 1.00 45.44 H new ATOM 0 HD2 HIS A 119 4.883 14.306 0.799 1.00 74.23 H new ATOM 0 HE1 HIS A 119 2.559 17.666 1.928 1.00 21.14 H new ATOM 0 HE2 HIS A 119 4.733 16.414 2.318 1.00 44.10 H new ATOM 1876 N ASP A 120 -0.597 13.644 -1.897 1.00 71.24 N ATOM 1877 CA ASP A 120 -1.806 14.330 -2.383 1.00 10.14 C ATOM 1878 C ASP A 120 -3.104 13.670 -1.888 1.00 14.20 C ATOM 1879 O ASP A 120 -4.075 14.358 -1.565 1.00 13.41 O ATOM 1880 CB ASP A 120 -1.805 14.367 -3.917 1.00 34.43 C ATOM 1881 CG ASP A 120 -0.774 15.329 -4.493 1.00 34.30 C ATOM 1882 OD1 ASP A 120 0.321 15.465 -3.908 1.00 41.15 O ATOM 1883 OD2 ASP A 120 -1.064 15.962 -5.535 1.00 14.33 O ATOM 0 H ASP A 120 -0.192 12.989 -2.566 1.00 71.24 H new ATOM 0 HA ASP A 120 -1.780 15.342 -1.979 1.00 10.14 H new ATOM 0 HB2 ASP A 120 -1.610 13.365 -4.298 1.00 34.43 H new ATOM 0 HB3 ASP A 120 -2.796 14.654 -4.268 1.00 34.43 H new ATOM 1888 N ARG A 121 -3.128 12.340 -1.851 1.00 64.35 N ATOM 1889 CA ARG A 121 -4.351 11.602 -1.502 1.00 25.11 C ATOM 1890 C ARG A 121 -4.318 11.048 -0.068 1.00 21.31 C ATOM 1891 O ARG A 121 -5.283 11.188 0.685 1.00 32.24 O ATOM 1892 CB ARG A 121 -4.567 10.454 -2.495 1.00 11.12 C ATOM 1893 CG ARG A 121 -4.696 10.914 -3.946 1.00 54.12 C ATOM 1894 CD ARG A 121 -5.056 9.759 -4.877 1.00 44.14 C ATOM 1895 NE ARG A 121 -5.193 10.196 -6.268 1.00 73.14 N ATOM 1896 CZ ARG A 121 -6.157 9.822 -7.066 1.00 25.10 C ATOM 1897 NH1 ARG A 121 -7.106 9.047 -6.646 1.00 41.24 N ATOM 1898 NH2 ARG A 121 -6.179 10.240 -8.285 1.00 31.22 N ATOM 0 H ARG A 121 -2.322 11.749 -2.056 1.00 64.35 H new ATOM 0 HA ARG A 121 -5.179 12.308 -1.557 1.00 25.11 H new ATOM 0 HB2 ARG A 121 -3.733 9.756 -2.417 1.00 11.12 H new ATOM 0 HB3 ARG A 121 -5.468 9.907 -2.215 1.00 11.12 H new ATOM 0 HG2 ARG A 121 -5.460 11.688 -4.015 1.00 54.12 H new ATOM 0 HG3 ARG A 121 -3.757 11.363 -4.270 1.00 54.12 H new ATOM 0 HD2 ARG A 121 -4.287 8.989 -4.813 1.00 44.14 H new ATOM 0 HD3 ARG A 121 -5.990 9.305 -4.546 1.00 44.14 H new ATOM 0 HE ARG A 121 -4.489 10.835 -6.638 1.00 73.14 H new ATOM 0 HH11 ARG A 121 -7.107 8.720 -5.680 1.00 41.24 H new ATOM 0 HH12 ARG A 121 -7.852 8.764 -7.281 1.00 41.24 H new ATOM 0 HH21 ARG A 121 -5.445 10.861 -8.624 1.00 31.22 H new ATOM 0 HH22 ARG A 121 -6.931 9.949 -8.910 1.00 31.22 H new ATOM 1912 N MET A 122 -3.202 10.430 0.307 1.00 41.52 N ATOM 1913 CA MET A 122 -3.097 9.741 1.602 1.00 32.11 C ATOM 1914 C MET A 122 -2.858 10.702 2.783 1.00 44.44 C ATOM 1915 O MET A 122 -3.530 10.600 3.808 1.00 14.21 O ATOM 1916 CB MET A 122 -1.977 8.698 1.548 1.00 15.34 C ATOM 1917 CG MET A 122 -2.317 7.471 0.715 1.00 71.14 C ATOM 1918 SD MET A 122 -0.991 6.250 0.729 1.00 13.25 S ATOM 1919 CE MET A 122 -1.818 4.844 -0.007 1.00 2.13 C ATOM 0 H MET A 122 -2.356 10.389 -0.261 1.00 41.52 H new ATOM 0 HA MET A 122 -4.057 9.257 1.778 1.00 32.11 H new ATOM 0 HB2 MET A 122 -1.079 9.164 1.141 1.00 15.34 H new ATOM 0 HB3 MET A 122 -1.740 8.381 2.564 1.00 15.34 H new ATOM 0 HG2 MET A 122 -3.231 7.017 1.097 1.00 71.14 H new ATOM 0 HG3 MET A 122 -2.517 7.775 -0.312 1.00 71.14 H new ATOM 0 HE1 MET A 122 -1.389 3.923 0.387 1.00 2.13 H new ATOM 0 HE2 MET A 122 -2.881 4.881 0.232 1.00 2.13 H new ATOM 0 HE3 MET A 122 -1.688 4.871 -1.089 1.00 2.13 H new ATOM 1929 N ILE A 123 -1.901 11.623 2.642 1.00 42.10 N ATOM 1930 CA ILE A 123 -1.537 12.549 3.732 1.00 2.44 C ATOM 1931 C ILE A 123 -2.762 13.260 4.355 1.00 25.22 C ATOM 1932 O ILE A 123 -2.933 13.227 5.576 1.00 12.40 O ATOM 1933 CB ILE A 123 -0.488 13.600 3.267 1.00 20.34 C ATOM 1934 CG1 ILE A 123 0.882 12.938 3.043 1.00 32.24 C ATOM 1935 CG2 ILE A 123 -0.372 14.756 4.264 1.00 31.14 C ATOM 1936 CD1 ILE A 123 1.533 12.409 4.307 1.00 42.34 C ATOM 0 H ILE A 123 -1.361 11.752 1.786 1.00 42.10 H new ATOM 0 HA ILE A 123 -1.091 11.928 4.509 1.00 2.44 H new ATOM 0 HB ILE A 123 -0.833 14.013 2.319 1.00 20.34 H new ATOM 0 HG12 ILE A 123 0.764 12.116 2.337 1.00 32.24 H new ATOM 0 HG13 ILE A 123 1.551 13.663 2.579 1.00 32.24 H new ATOM 0 HG21 ILE A 123 0.369 15.471 3.907 1.00 31.14 H new ATOM 0 HG22 ILE A 123 -1.338 15.252 4.360 1.00 31.14 H new ATOM 0 HG23 ILE A 123 -0.065 14.369 5.236 1.00 31.14 H new ATOM 0 HD11 ILE A 123 2.494 11.958 4.060 1.00 42.34 H new ATOM 0 HD12 ILE A 123 1.686 13.229 5.008 1.00 42.34 H new ATOM 0 HD13 ILE A 123 0.887 11.658 4.762 1.00 42.34 H new ATOM 1948 N PRO A 124 -3.640 13.909 3.547 1.00 43.25 N ATOM 1949 CA PRO A 124 -4.840 14.578 4.082 1.00 51.54 C ATOM 1950 C PRO A 124 -5.724 13.623 4.904 1.00 50.11 C ATOM 1951 O PRO A 124 -6.270 14.005 5.941 1.00 21.05 O ATOM 1952 CB PRO A 124 -5.584 15.077 2.825 1.00 52.14 C ATOM 1953 CG PRO A 124 -4.980 14.323 1.687 1.00 4.03 C ATOM 1954 CD PRO A 124 -3.554 14.053 2.080 1.00 22.21 C ATOM 0 HA PRO A 124 -4.580 15.382 4.771 1.00 51.54 H new ATOM 0 HB2 PRO A 124 -6.655 14.886 2.900 1.00 52.14 H new ATOM 0 HB3 PRO A 124 -5.460 16.152 2.695 1.00 52.14 H new ATOM 0 HG2 PRO A 124 -5.518 13.392 1.506 1.00 4.03 H new ATOM 0 HG3 PRO A 124 -5.028 14.903 0.765 1.00 4.03 H new ATOM 0 HD2 PRO A 124 -3.168 13.150 1.607 1.00 22.21 H new ATOM 0 HD3 PRO A 124 -2.893 14.871 1.792 1.00 22.21 H new ATOM 1962 N HIS A 125 -5.841 12.373 4.449 1.00 42.41 N ATOM 1963 CA HIS A 125 -6.622 11.358 5.167 1.00 43.43 C ATOM 1964 C HIS A 125 -5.934 10.914 6.466 1.00 32.44 C ATOM 1965 O HIS A 125 -6.549 10.935 7.530 1.00 2.20 O ATOM 1966 CB HIS A 125 -6.902 10.144 4.269 1.00 4.51 C ATOM 1967 CG HIS A 125 -8.033 10.361 3.316 1.00 33.22 C ATOM 1968 ND1 HIS A 125 -9.266 10.772 3.765 1.00 61.34 N ATOM 1969 CD2 HIS A 125 -8.078 10.221 1.968 1.00 51.43 C ATOM 1970 CE1 HIS A 125 -10.026 10.874 2.693 1.00 53.14 C ATOM 1971 NE2 HIS A 125 -9.350 10.551 1.585 1.00 35.04 N ATOM 0 H HIS A 125 -5.407 12.038 3.589 1.00 42.41 H new ATOM 0 HA HIS A 125 -7.571 11.820 5.438 1.00 43.43 H new ATOM 0 HB2 HIS A 125 -6.001 9.903 3.704 1.00 4.51 H new ATOM 0 HB3 HIS A 125 -7.125 9.281 4.896 1.00 4.51 H new ATOM 0 HD2 HIS A 125 -7.269 9.910 1.323 1.00 51.43 H new ATOM 0 HE1 HIS A 125 -11.062 11.179 2.707 1.00 53.14 H new ATOM 0 HE2 HIS A 125 -9.714 10.551 0.632 1.00 35.04 H new ATOM 1979 N PHE A 126 -4.659 10.533 6.387 1.00 61.14 N ATOM 1980 CA PHE A 126 -3.910 10.086 7.570 1.00 41.42 C ATOM 1981 C PHE A 126 -3.929 11.150 8.677 1.00 31.42 C ATOM 1982 O PHE A 126 -4.164 10.840 9.844 1.00 42.50 O ATOM 1983 CB PHE A 126 -2.458 9.743 7.203 1.00 24.33 C ATOM 1984 CG PHE A 126 -2.313 8.562 6.272 1.00 12.54 C ATOM 1985 CD1 PHE A 126 -3.307 7.594 6.185 1.00 0.34 C ATOM 1986 CD2 PHE A 126 -1.177 8.419 5.488 1.00 14.24 C ATOM 1987 CE1 PHE A 126 -3.168 6.513 5.337 1.00 32.21 C ATOM 1988 CE2 PHE A 126 -1.034 7.336 4.642 1.00 30.23 C ATOM 1989 CZ PHE A 126 -2.032 6.384 4.564 1.00 2.11 C ATOM 0 H PHE A 126 -4.121 10.524 5.520 1.00 61.14 H new ATOM 0 HA PHE A 126 -4.401 9.188 7.945 1.00 41.42 H new ATOM 0 HB2 PHE A 126 -1.998 10.615 6.739 1.00 24.33 H new ATOM 0 HB3 PHE A 126 -1.903 9.539 8.119 1.00 24.33 H new ATOM 0 HD1 PHE A 126 -4.198 7.689 6.788 1.00 0.34 H new ATOM 0 HD2 PHE A 126 -0.396 9.163 5.540 1.00 14.24 H new ATOM 0 HE1 PHE A 126 -3.948 5.769 5.279 1.00 32.21 H new ATOM 0 HE2 PHE A 126 -0.142 7.234 4.042 1.00 30.23 H new ATOM 0 HZ PHE A 126 -1.923 5.540 3.899 1.00 2.11 H new ATOM 1999 N ARG A 127 -3.702 12.407 8.299 1.00 72.01 N ATOM 2000 CA ARG A 127 -3.768 13.520 9.252 1.00 41.14 C ATOM 2001 C ARG A 127 -5.181 13.664 9.840 1.00 63.02 C ATOM 2002 O ARG A 127 -5.347 13.972 11.019 1.00 54.11 O ATOM 2003 CB ARG A 127 -3.345 14.830 8.576 1.00 33.44 C ATOM 2004 CG ARG A 127 -1.907 14.820 8.066 1.00 2.40 C ATOM 2005 CD ARG A 127 -1.506 16.169 7.482 1.00 63.54 C ATOM 2006 NE ARG A 127 -1.614 17.245 8.468 1.00 21.22 N ATOM 2007 CZ ARG A 127 -0.855 18.303 8.493 1.00 31.23 C ATOM 2008 NH1 ARG A 127 0.101 18.450 7.634 1.00 22.25 N ATOM 2009 NH2 ARG A 127 -1.047 19.208 9.396 1.00 14.13 N ATOM 0 H ARG A 127 -3.471 12.682 7.344 1.00 72.01 H new ATOM 0 HA ARG A 127 -3.079 13.302 10.068 1.00 41.14 H new ATOM 0 HB2 ARG A 127 -4.016 15.031 7.741 1.00 33.44 H new ATOM 0 HB3 ARG A 127 -3.464 15.649 9.285 1.00 33.44 H new ATOM 0 HG2 ARG A 127 -1.233 14.563 8.883 1.00 2.40 H new ATOM 0 HG3 ARG A 127 -1.796 14.047 7.306 1.00 2.40 H new ATOM 0 HD2 ARG A 127 -0.481 16.115 7.114 1.00 63.54 H new ATOM 0 HD3 ARG A 127 -2.140 16.397 6.625 1.00 63.54 H new ATOM 0 HE ARG A 127 -2.334 17.160 9.186 1.00 21.22 H new ATOM 0 HH11 ARG A 127 0.267 17.733 6.928 1.00 22.25 H new ATOM 0 HH12 ARG A 127 0.689 19.283 7.663 1.00 22.25 H new ATOM 0 HH21 ARG A 127 -1.790 19.092 10.085 1.00 14.13 H new ATOM 0 HH22 ARG A 127 -0.455 20.038 9.420 1.00 14.13 H new ATOM 2023 N SER A 128 -6.195 13.426 9.010 1.00 3.45 N ATOM 2024 CA SER A 128 -7.600 13.485 9.455 1.00 15.52 C ATOM 2025 C SER A 128 -8.004 12.231 10.247 1.00 54.33 C ATOM 2026 O SER A 128 -9.110 12.159 10.782 1.00 31.14 O ATOM 2027 CB SER A 128 -8.545 13.650 8.253 1.00 64.23 C ATOM 2028 OG SER A 128 -8.317 14.877 7.570 1.00 2.12 O ATOM 0 H SER A 128 -6.077 13.190 8.025 1.00 3.45 H new ATOM 0 HA SER A 128 -7.687 14.350 10.112 1.00 15.52 H new ATOM 0 HB2 SER A 128 -8.405 12.818 7.563 1.00 64.23 H new ATOM 0 HB3 SER A 128 -9.579 13.610 8.595 1.00 64.23 H new ATOM 0 HG SER A 128 -7.591 14.761 6.922 1.00 2.12 H new ATOM 2034 N GLY A 129 -7.109 11.246 10.313 1.00 53.53 N ATOM 2035 CA GLY A 129 -7.396 10.005 11.032 1.00 71.11 C ATOM 2036 C GLY A 129 -7.990 8.915 10.143 1.00 31.30 C ATOM 2037 O GLY A 129 -8.335 7.831 10.619 1.00 24.31 O ATOM 0 H GLY A 129 -6.186 11.282 9.881 1.00 53.53 H new ATOM 0 HA2 GLY A 129 -6.476 9.634 11.484 1.00 71.11 H new ATOM 0 HA3 GLY A 129 -8.088 10.217 11.847 1.00 71.11 H new ATOM 2041 N ASN A 130 -8.117 9.206 8.852 1.00 34.02 N ATOM 2042 CA ASN A 130 -8.653 8.242 7.886 1.00 72.44 C ATOM 2043 C ASN A 130 -7.547 7.364 7.281 1.00 4.21 C ATOM 2044 O ASN A 130 -7.133 7.568 6.139 1.00 73.21 O ATOM 2045 CB ASN A 130 -9.386 8.966 6.756 1.00 23.22 C ATOM 2046 CG ASN A 130 -10.628 9.705 7.205 1.00 24.23 C ATOM 2047 OD1 ASN A 130 -11.243 9.373 8.213 1.00 51.34 O ATOM 2048 ND2 ASN A 130 -11.022 10.696 6.435 1.00 63.43 N ATOM 0 H ASN A 130 -7.856 10.104 8.446 1.00 34.02 H new ATOM 0 HA ASN A 130 -9.348 7.601 8.429 1.00 72.44 H new ATOM 0 HB2 ASN A 130 -8.703 9.675 6.288 1.00 23.22 H new ATOM 0 HB3 ASN A 130 -9.664 8.240 5.992 1.00 23.22 H new ATOM 0 HD21 ASN A 130 -11.866 11.218 6.668 1.00 63.43 H new ATOM 0 HD22 ASN A 130 -10.483 10.942 5.605 1.00 63.43 H new ATOM 2055 N TYR A 131 -7.073 6.389 8.043 1.00 2.04 N ATOM 2056 CA TYR A 131 -6.036 5.474 7.558 1.00 5.34 C ATOM 2057 C TYR A 131 -6.590 4.521 6.489 1.00 64.22 C ATOM 2058 O TYR A 131 -5.980 4.324 5.437 1.00 0.33 O ATOM 2059 CB TYR A 131 -5.437 4.687 8.729 1.00 12.01 C ATOM 2060 CG TYR A 131 -4.740 5.577 9.744 1.00 72.22 C ATOM 2061 CD1 TYR A 131 -3.400 5.920 9.590 1.00 72.10 C ATOM 2062 CD2 TYR A 131 -5.426 6.088 10.842 1.00 11.24 C ATOM 2063 CE1 TYR A 131 -2.766 6.745 10.499 1.00 21.20 C ATOM 2064 CE2 TYR A 131 -4.795 6.912 11.756 1.00 14.41 C ATOM 2065 CZ TYR A 131 -3.467 7.237 11.580 1.00 25.21 C ATOM 2066 OH TYR A 131 -2.838 8.062 12.482 1.00 63.24 O ATOM 0 H TYR A 131 -7.385 6.207 8.997 1.00 2.04 H new ATOM 0 HA TYR A 131 -5.248 6.067 7.094 1.00 5.34 H new ATOM 0 HB2 TYR A 131 -6.229 4.127 9.227 1.00 12.01 H new ATOM 0 HB3 TYR A 131 -4.725 3.957 8.343 1.00 12.01 H new ATOM 0 HD1 TYR A 131 -2.847 5.535 8.746 1.00 72.10 H new ATOM 0 HD2 TYR A 131 -6.467 5.837 10.982 1.00 11.24 H new ATOM 0 HE1 TYR A 131 -1.726 7.003 10.364 1.00 21.20 H new ATOM 0 HE2 TYR A 131 -5.340 7.299 12.604 1.00 14.41 H new ATOM 0 HH TYR A 131 -3.471 8.322 13.184 1.00 63.24 H new ATOM 2076 N ALA A 132 -7.760 3.947 6.765 1.00 30.12 N ATOM 2077 CA ALA A 132 -8.435 3.059 5.812 1.00 62.31 C ATOM 2078 C ALA A 132 -8.819 3.801 4.521 1.00 50.13 C ATOM 2079 O ALA A 132 -8.624 3.293 3.415 1.00 52.45 O ATOM 2080 CB ALA A 132 -9.673 2.440 6.458 1.00 22.11 C ATOM 0 H ALA A 132 -8.263 4.080 7.642 1.00 30.12 H new ATOM 0 HA ALA A 132 -7.738 2.266 5.541 1.00 62.31 H new ATOM 0 HB1 ALA A 132 -10.167 1.783 5.742 1.00 22.11 H new ATOM 0 HB2 ALA A 132 -9.377 1.864 7.335 1.00 22.11 H new ATOM 0 HB3 ALA A 132 -10.360 3.231 6.759 1.00 22.11 H new ATOM 2086 N GLU A 133 -9.354 5.015 4.672 1.00 74.44 N ATOM 2087 CA GLU A 133 -9.787 5.823 3.523 1.00 52.34 C ATOM 2088 C GLU A 133 -8.583 6.227 2.650 1.00 61.54 C ATOM 2089 O GLU A 133 -8.643 6.161 1.419 1.00 1.32 O ATOM 2090 CB GLU A 133 -10.539 7.080 3.999 1.00 44.34 C ATOM 2091 CG GLU A 133 -11.562 6.829 5.108 1.00 71.33 C ATOM 2092 CD GLU A 133 -12.500 5.663 4.833 1.00 24.44 C ATOM 2093 OE1 GLU A 133 -13.220 5.693 3.815 1.00 61.02 O ATOM 2094 OE2 GLU A 133 -12.527 4.713 5.648 1.00 23.10 O ATOM 0 H GLU A 133 -9.499 5.462 5.577 1.00 74.44 H new ATOM 0 HA GLU A 133 -10.462 5.216 2.920 1.00 52.34 H new ATOM 0 HB2 GLU A 133 -9.811 7.810 4.353 1.00 44.34 H new ATOM 0 HB3 GLU A 133 -11.050 7.526 3.146 1.00 44.34 H new ATOM 0 HG2 GLU A 133 -11.032 6.643 6.042 1.00 71.33 H new ATOM 0 HG3 GLU A 133 -12.155 7.732 5.253 1.00 71.33 H new ATOM 2101 N GLY A 134 -7.488 6.633 3.300 1.00 51.24 N ATOM 2102 CA GLY A 134 -6.266 6.986 2.582 1.00 3.24 C ATOM 2103 C GLY A 134 -5.714 5.835 1.747 1.00 2.31 C ATOM 2104 O GLY A 134 -5.439 5.995 0.555 1.00 64.52 O ATOM 0 H GLY A 134 -7.425 6.724 4.314 1.00 51.24 H new ATOM 0 HA2 GLY A 134 -6.466 7.837 1.931 1.00 3.24 H new ATOM 0 HA3 GLY A 134 -5.509 7.304 3.299 1.00 3.24 H new ATOM 2108 N LEU A 135 -5.553 4.668 2.371 1.00 74.52 N ATOM 2109 CA LEU A 135 -5.102 3.470 1.655 1.00 11.03 C ATOM 2110 C LEU A 135 -6.085 3.091 0.537 1.00 54.43 C ATOM 2111 O LEU A 135 -5.680 2.677 -0.552 1.00 50.11 O ATOM 2112 CB LEU A 135 -4.949 2.288 2.623 1.00 71.24 C ATOM 2113 CG LEU A 135 -3.903 2.465 3.735 1.00 14.54 C ATOM 2114 CD1 LEU A 135 -3.877 1.239 4.647 1.00 64.32 C ATOM 2115 CD2 LEU A 135 -2.520 2.727 3.143 1.00 31.01 C ATOM 0 H LEU A 135 -5.727 4.525 3.366 1.00 74.52 H new ATOM 0 HA LEU A 135 -4.134 3.698 1.209 1.00 11.03 H new ATOM 0 HB2 LEU A 135 -5.916 2.096 3.087 1.00 71.24 H new ATOM 0 HB3 LEU A 135 -4.691 1.401 2.045 1.00 71.24 H new ATOM 0 HG LEU A 135 -4.184 3.332 4.333 1.00 14.54 H new ATOM 0 HD11 LEU A 135 -3.131 1.382 5.428 1.00 64.32 H new ATOM 0 HD12 LEU A 135 -4.858 1.104 5.103 1.00 64.32 H new ATOM 0 HD13 LEU A 135 -3.624 0.355 4.061 1.00 64.32 H new ATOM 0 HD21 LEU A 135 -1.796 2.849 3.949 1.00 31.01 H new ATOM 0 HD22 LEU A 135 -2.227 1.885 2.517 1.00 31.01 H new ATOM 0 HD23 LEU A 135 -2.548 3.635 2.540 1.00 31.01 H new ATOM 2127 N SER A 136 -7.379 3.247 0.819 1.00 15.21 N ATOM 2128 CA SER A 136 -8.440 2.875 -0.129 1.00 53.15 C ATOM 2129 C SER A 136 -8.298 3.597 -1.477 1.00 4.43 C ATOM 2130 O SER A 136 -8.179 2.954 -2.526 1.00 24.23 O ATOM 2131 CB SER A 136 -9.820 3.180 0.469 1.00 50.02 C ATOM 2132 OG SER A 136 -10.858 2.833 -0.434 1.00 42.51 O ATOM 0 H SER A 136 -7.723 3.630 1.700 1.00 15.21 H new ATOM 0 HA SER A 136 -8.341 1.805 -0.311 1.00 53.15 H new ATOM 0 HB2 SER A 136 -9.945 2.629 1.401 1.00 50.02 H new ATOM 0 HB3 SER A 136 -9.887 4.240 0.714 1.00 50.02 H new ATOM 0 HG SER A 136 -11.726 3.036 -0.028 1.00 42.51 H new ATOM 2138 N GLU A 137 -8.298 4.932 -1.459 1.00 22.40 N ATOM 2139 CA GLU A 137 -8.176 5.697 -2.706 1.00 63.43 C ATOM 2140 C GLU A 137 -6.729 5.697 -3.231 1.00 53.53 C ATOM 2141 O GLU A 137 -6.491 5.967 -4.411 1.00 45.44 O ATOM 2142 CB GLU A 137 -8.703 7.131 -2.550 1.00 71.31 C ATOM 2143 CG GLU A 137 -7.816 8.074 -1.749 1.00 74.41 C ATOM 2144 CD GLU A 137 -8.229 9.522 -1.953 1.00 40.13 C ATOM 2145 OE1 GLU A 137 -7.818 10.122 -2.967 1.00 42.24 O ATOM 2146 OE2 GLU A 137 -8.999 10.055 -1.133 1.00 53.05 O ATOM 0 H GLU A 137 -8.379 5.498 -0.614 1.00 22.40 H new ATOM 0 HA GLU A 137 -8.800 5.196 -3.446 1.00 63.43 H new ATOM 0 HB2 GLU A 137 -8.850 7.555 -3.543 1.00 71.31 H new ATOM 0 HB3 GLU A 137 -9.682 7.089 -2.073 1.00 71.31 H new ATOM 0 HG2 GLU A 137 -7.875 7.822 -0.690 1.00 74.41 H new ATOM 0 HG3 GLU A 137 -6.777 7.944 -2.050 1.00 74.41 H new ATOM 2153 N GLY A 138 -5.768 5.400 -2.353 1.00 71.10 N ATOM 2154 CA GLY A 138 -4.388 5.198 -2.792 1.00 12.03 C ATOM 2155 C GLY A 138 -4.266 4.021 -3.756 1.00 51.21 C ATOM 2156 O GLY A 138 -3.636 4.127 -4.812 1.00 31.31 O ATOM 0 H GLY A 138 -5.917 5.296 -1.349 1.00 71.10 H new ATOM 0 HA2 GLY A 138 -4.025 6.104 -3.277 1.00 12.03 H new ATOM 0 HA3 GLY A 138 -3.752 5.024 -1.924 1.00 12.03 H new ATOM 2160 N VAL A 139 -4.884 2.897 -3.389 1.00 21.32 N ATOM 2161 CA VAL A 139 -4.985 1.735 -4.278 1.00 3.04 C ATOM 2162 C VAL A 139 -5.757 2.091 -5.557 1.00 33.22 C ATOM 2163 O VAL A 139 -5.338 1.761 -6.669 1.00 25.44 O ATOM 2164 CB VAL A 139 -5.696 0.554 -3.570 1.00 45.34 C ATOM 2165 CG1 VAL A 139 -5.929 -0.612 -4.533 1.00 12.32 C ATOM 2166 CG2 VAL A 139 -4.900 0.100 -2.345 1.00 71.32 C ATOM 0 H VAL A 139 -5.324 2.765 -2.478 1.00 21.32 H new ATOM 0 HA VAL A 139 -3.970 1.437 -4.540 1.00 3.04 H new ATOM 0 HB VAL A 139 -6.672 0.904 -3.233 1.00 45.34 H new ATOM 0 HG11 VAL A 139 -6.429 -1.425 -4.006 1.00 12.32 H new ATOM 0 HG12 VAL A 139 -6.552 -0.279 -5.363 1.00 12.32 H new ATOM 0 HG13 VAL A 139 -4.971 -0.964 -4.917 1.00 12.32 H new ATOM 0 HG21 VAL A 139 -5.416 -0.730 -1.863 1.00 71.32 H new ATOM 0 HG22 VAL A 139 -3.906 -0.223 -2.656 1.00 71.32 H new ATOM 0 HG23 VAL A 139 -4.809 0.928 -1.643 1.00 71.32 H new ATOM 2176 N LEU A 140 -6.889 2.773 -5.380 1.00 40.43 N ATOM 2177 CA LEU A 140 -7.711 3.235 -6.506 1.00 74.54 C ATOM 2178 C LEU A 140 -6.890 4.093 -7.488 1.00 10.21 C ATOM 2179 O LEU A 140 -7.064 4.006 -8.706 1.00 72.12 O ATOM 2180 CB LEU A 140 -8.909 4.041 -5.980 1.00 54.52 C ATOM 2181 CG LEU A 140 -9.883 4.557 -7.055 1.00 11.25 C ATOM 2182 CD1 LEU A 140 -10.547 3.394 -7.791 1.00 54.54 C ATOM 2183 CD2 LEU A 140 -10.933 5.480 -6.436 1.00 43.13 C ATOM 0 H LEU A 140 -7.262 3.020 -4.463 1.00 40.43 H new ATOM 0 HA LEU A 140 -8.069 2.358 -7.045 1.00 74.54 H new ATOM 0 HB2 LEU A 140 -9.465 3.418 -5.280 1.00 54.52 H new ATOM 0 HB3 LEU A 140 -8.532 4.894 -5.417 1.00 54.52 H new ATOM 0 HG LEU A 140 -9.311 5.133 -7.782 1.00 11.25 H new ATOM 0 HD11 LEU A 140 -11.231 3.784 -8.545 1.00 54.54 H new ATOM 0 HD12 LEU A 140 -9.783 2.785 -8.274 1.00 54.54 H new ATOM 0 HD13 LEU A 140 -11.102 2.783 -7.080 1.00 54.54 H new ATOM 0 HD21 LEU A 140 -11.611 5.833 -7.213 1.00 43.13 H new ATOM 0 HD22 LEU A 140 -11.499 4.933 -5.682 1.00 43.13 H new ATOM 0 HD23 LEU A 140 -10.439 6.333 -5.971 1.00 43.13 H new ATOM 2195 N ALA A 141 -5.993 4.913 -6.944 1.00 3.54 N ATOM 2196 CA ALA A 141 -5.123 5.768 -7.758 1.00 54.32 C ATOM 2197 C ALA A 141 -4.202 4.933 -8.659 1.00 40.10 C ATOM 2198 O ALA A 141 -4.191 5.100 -9.880 1.00 22.13 O ATOM 2199 CB ALA A 141 -4.295 6.685 -6.863 1.00 2.04 C ATOM 0 H ALA A 141 -5.847 5.005 -5.939 1.00 3.54 H new ATOM 0 HA ALA A 141 -5.759 6.377 -8.401 1.00 54.32 H new ATOM 0 HB1 ALA A 141 -3.654 7.314 -7.480 1.00 2.04 H new ATOM 0 HB2 ALA A 141 -4.960 7.314 -6.272 1.00 2.04 H new ATOM 0 HB3 ALA A 141 -3.678 6.083 -6.196 1.00 2.04 H new ATOM 2205 N VAL A 142 -3.440 4.028 -8.046 1.00 50.51 N ATOM 2206 CA VAL A 142 -2.536 3.141 -8.789 1.00 13.15 C ATOM 2207 C VAL A 142 -3.304 2.317 -9.835 1.00 4.34 C ATOM 2208 O VAL A 142 -2.860 2.169 -10.978 1.00 0.54 O ATOM 2209 CB VAL A 142 -1.778 2.184 -7.836 1.00 71.44 C ATOM 2210 CG1 VAL A 142 -0.845 1.256 -8.614 1.00 62.32 C ATOM 2211 CG2 VAL A 142 -1.003 2.975 -6.783 1.00 31.22 C ATOM 0 H VAL A 142 -3.428 3.887 -7.036 1.00 50.51 H new ATOM 0 HA VAL A 142 -1.812 3.777 -9.299 1.00 13.15 H new ATOM 0 HB VAL A 142 -2.515 1.564 -7.325 1.00 71.44 H new ATOM 0 HG11 VAL A 142 -0.326 0.596 -7.919 1.00 62.32 H new ATOM 0 HG12 VAL A 142 -1.428 0.659 -9.316 1.00 62.32 H new ATOM 0 HG13 VAL A 142 -0.115 1.851 -9.163 1.00 62.32 H new ATOM 0 HG21 VAL A 142 -0.477 2.285 -6.123 1.00 31.22 H new ATOM 0 HG22 VAL A 142 -0.281 3.627 -7.276 1.00 31.22 H new ATOM 0 HG23 VAL A 142 -1.697 3.579 -6.198 1.00 31.22 H new ATOM 2221 N GLN A 143 -4.464 1.793 -9.434 1.00 11.31 N ATOM 2222 CA GLN A 143 -5.347 1.056 -10.347 1.00 41.22 C ATOM 2223 C GLN A 143 -5.654 1.876 -11.615 1.00 24.22 C ATOM 2224 O GLN A 143 -5.591 1.356 -12.731 1.00 51.14 O ATOM 2225 CB GLN A 143 -6.659 0.692 -9.630 1.00 60.41 C ATOM 2226 CG GLN A 143 -7.616 -0.153 -10.472 1.00 31.15 C ATOM 2227 CD GLN A 143 -8.941 -0.433 -9.775 1.00 34.43 C ATOM 2228 OE1 GLN A 143 -9.428 0.366 -8.983 1.00 15.24 O ATOM 2229 NE2 GLN A 143 -9.539 -1.571 -10.071 1.00 21.13 N ATOM 0 H GLN A 143 -4.817 1.865 -8.480 1.00 11.31 H new ATOM 0 HA GLN A 143 -4.832 0.144 -10.650 1.00 41.22 H new ATOM 0 HB2 GLN A 143 -6.422 0.150 -8.714 1.00 60.41 H new ATOM 0 HB3 GLN A 143 -7.166 1.610 -9.334 1.00 60.41 H new ATOM 0 HG2 GLN A 143 -7.810 0.360 -11.414 1.00 31.15 H new ATOM 0 HG3 GLN A 143 -7.135 -1.100 -10.717 1.00 31.15 H new ATOM 0 HE21 GLN A 143 -9.109 -2.216 -10.734 1.00 21.13 H new ATOM 0 HE22 GLN A 143 -10.432 -1.806 -9.637 1.00 21.13 H new ATOM 2238 N GLN A 144 -5.975 3.159 -11.429 1.00 21.45 N ATOM 2239 CA GLN A 144 -6.282 4.056 -12.552 1.00 51.32 C ATOM 2240 C GLN A 144 -5.036 4.369 -13.399 1.00 43.05 C ATOM 2241 O GLN A 144 -5.131 4.512 -14.619 1.00 4.52 O ATOM 2242 CB GLN A 144 -6.919 5.359 -12.040 1.00 34.40 C ATOM 2243 CG GLN A 144 -8.325 5.170 -11.466 1.00 41.44 C ATOM 2244 CD GLN A 144 -8.944 6.463 -10.952 1.00 60.43 C ATOM 2245 OE1 GLN A 144 -8.649 7.553 -11.438 1.00 61.52 O ATOM 2246 NE2 GLN A 144 -9.817 6.354 -9.970 1.00 0.21 N ATOM 0 H GLN A 144 -6.030 3.602 -10.512 1.00 21.45 H new ATOM 0 HA GLN A 144 -6.993 3.538 -13.195 1.00 51.32 H new ATOM 0 HB2 GLN A 144 -6.277 5.790 -11.272 1.00 34.40 H new ATOM 0 HB3 GLN A 144 -6.963 6.078 -12.858 1.00 34.40 H new ATOM 0 HG2 GLN A 144 -8.970 4.747 -12.236 1.00 41.44 H new ATOM 0 HG3 GLN A 144 -8.283 4.446 -10.652 1.00 41.44 H new ATOM 0 HE21 GLN A 144 -10.042 5.436 -9.587 1.00 0.21 H new ATOM 0 HE22 GLN A 144 -10.268 7.188 -9.593 1.00 0.21 H new ATOM 2255 N VAL A 145 -3.869 4.479 -12.761 1.00 60.52 N ATOM 2256 CA VAL A 145 -2.615 4.716 -13.494 1.00 35.03 C ATOM 2257 C VAL A 145 -2.309 3.552 -14.456 1.00 4.20 C ATOM 2258 O VAL A 145 -2.071 3.760 -15.646 1.00 12.42 O ATOM 2259 CB VAL A 145 -1.411 4.924 -12.538 1.00 45.13 C ATOM 2260 CG1 VAL A 145 -0.114 5.126 -13.325 1.00 74.14 C ATOM 2261 CG2 VAL A 145 -1.660 6.103 -11.599 1.00 40.22 C ATOM 0 H VAL A 145 -3.762 4.409 -11.749 1.00 60.52 H new ATOM 0 HA VAL A 145 -2.759 5.632 -14.067 1.00 35.03 H new ATOM 0 HB VAL A 145 -1.304 4.023 -11.934 1.00 45.13 H new ATOM 0 HG11 VAL A 145 0.714 5.270 -12.631 1.00 74.14 H new ATOM 0 HG12 VAL A 145 0.078 4.248 -13.942 1.00 74.14 H new ATOM 0 HG13 VAL A 145 -0.209 6.004 -13.963 1.00 74.14 H new ATOM 0 HG21 VAL A 145 -0.802 6.229 -10.938 1.00 40.22 H new ATOM 0 HG22 VAL A 145 -1.803 7.011 -12.185 1.00 40.22 H new ATOM 0 HG23 VAL A 145 -2.552 5.911 -11.003 1.00 40.22 H new ATOM 2271 N LEU A 146 -2.334 2.328 -13.931 1.00 41.42 N ATOM 2272 CA LEU A 146 -2.120 1.126 -14.750 1.00 40.42 C ATOM 2273 C LEU A 146 -3.196 1.002 -15.837 1.00 22.21 C ATOM 2274 O LEU A 146 -2.893 0.733 -16.999 1.00 70.13 O ATOM 2275 CB LEU A 146 -2.114 -0.124 -13.858 1.00 65.24 C ATOM 2276 CG LEU A 146 -0.993 -0.166 -12.806 1.00 20.20 C ATOM 2277 CD1 LEU A 146 -1.159 -1.376 -11.887 1.00 20.31 C ATOM 2278 CD2 LEU A 146 0.379 -0.182 -13.483 1.00 1.11 C ATOM 0 H LEU A 146 -2.500 2.138 -12.943 1.00 41.42 H new ATOM 0 HA LEU A 146 -1.152 1.215 -15.243 1.00 40.42 H new ATOM 0 HB2 LEU A 146 -3.074 -0.192 -13.347 1.00 65.24 H new ATOM 0 HB3 LEU A 146 -2.028 -1.005 -14.494 1.00 65.24 H new ATOM 0 HG LEU A 146 -1.062 0.734 -12.196 1.00 20.20 H new ATOM 0 HD11 LEU A 146 -0.356 -1.386 -11.150 1.00 20.31 H new ATOM 0 HD12 LEU A 146 -2.120 -1.315 -11.375 1.00 20.31 H new ATOM 0 HD13 LEU A 146 -1.120 -2.290 -12.479 1.00 20.31 H new ATOM 0 HD21 LEU A 146 1.160 -0.212 -12.723 1.00 1.11 H new ATOM 0 HD22 LEU A 146 0.460 -1.062 -14.121 1.00 1.11 H new ATOM 0 HD23 LEU A 146 0.496 0.717 -14.089 1.00 1.11 H new ATOM 2290 N ASP A 147 -4.451 1.218 -15.451 1.00 75.00 N ATOM 2291 CA ASP A 147 -5.568 1.222 -16.401 1.00 32.32 C ATOM 2292 C ASP A 147 -5.356 2.283 -17.500 1.00 23.53 C ATOM 2293 O ASP A 147 -5.798 2.115 -18.639 1.00 32.43 O ATOM 2294 CB ASP A 147 -6.881 1.478 -15.650 1.00 13.04 C ATOM 2295 CG ASP A 147 -8.092 1.469 -16.564 1.00 15.42 C ATOM 2296 OD1 ASP A 147 -8.523 0.372 -16.977 1.00 34.33 O ATOM 2297 OD2 ASP A 147 -8.618 2.561 -16.877 1.00 14.14 O ATOM 0 H ASP A 147 -4.724 1.393 -14.484 1.00 75.00 H new ATOM 0 HA ASP A 147 -5.618 0.248 -16.887 1.00 32.32 H new ATOM 0 HB2 ASP A 147 -7.008 0.718 -14.879 1.00 13.04 H new ATOM 0 HB3 ASP A 147 -6.822 2.441 -15.142 1.00 13.04 H new ATOM 2302 N GLY A 148 -4.661 3.364 -17.146 1.00 4.10 N ATOM 2303 CA GLY A 148 -4.370 4.430 -18.097 1.00 44.11 C ATOM 2304 C GLY A 148 -3.326 4.046 -19.143 1.00 71.42 C ATOM 2305 O GLY A 148 -3.325 4.590 -20.251 1.00 64.31 O ATOM 0 H GLY A 148 -4.291 3.522 -16.209 1.00 4.10 H new ATOM 0 HA2 GLY A 148 -5.292 4.716 -18.603 1.00 44.11 H new ATOM 0 HA3 GLY A 148 -4.021 5.307 -17.552 1.00 44.11 H new ATOM 2309 N SER A 149 -2.429 3.114 -18.802 1.00 73.31 N ATOM 2310 CA SER A 149 -1.395 2.662 -19.748 1.00 61.23 C ATOM 2311 C SER A 149 -0.974 1.201 -19.509 1.00 74.34 C ATOM 2312 O SER A 149 0.074 0.926 -18.921 1.00 24.24 O ATOM 2313 CB SER A 149 -0.156 3.570 -19.695 1.00 2.11 C ATOM 2314 OG SER A 149 0.815 3.172 -20.656 1.00 14.12 O ATOM 0 H SER A 149 -2.395 2.660 -17.889 1.00 73.31 H new ATOM 0 HA SER A 149 -1.845 2.723 -20.739 1.00 61.23 H new ATOM 0 HB2 SER A 149 -0.451 4.603 -19.879 1.00 2.11 H new ATOM 0 HB3 SER A 149 0.281 3.536 -18.697 1.00 2.11 H new ATOM 0 HG SER A 149 1.098 3.952 -21.178 1.00 14.12 H new ATOM 2320 N LEU A 150 -1.806 0.266 -19.958 1.00 32.24 N ATOM 2321 CA LEU A 150 -1.444 -1.152 -19.971 1.00 75.01 C ATOM 2322 C LEU A 150 -0.557 -1.456 -21.176 1.00 63.23 C ATOM 2323 O LEU A 150 -1.028 -1.919 -22.220 1.00 24.33 O ATOM 2324 CB LEU A 150 -2.697 -2.043 -19.988 1.00 34.14 C ATOM 2325 CG LEU A 150 -3.417 -2.167 -18.639 1.00 51.43 C ATOM 2326 CD1 LEU A 150 -4.664 -3.044 -18.762 1.00 43.22 C ATOM 2327 CD2 LEU A 150 -2.462 -2.724 -17.583 1.00 23.33 C ATOM 0 H LEU A 150 -2.739 0.463 -20.319 1.00 32.24 H new ATOM 0 HA LEU A 150 -0.889 -1.371 -19.059 1.00 75.01 H new ATOM 0 HB2 LEU A 150 -3.398 -1.646 -20.723 1.00 34.14 H new ATOM 0 HB3 LEU A 150 -2.412 -3.040 -20.325 1.00 34.14 H new ATOM 0 HG LEU A 150 -3.740 -1.174 -18.327 1.00 51.43 H new ATOM 0 HD11 LEU A 150 -5.156 -3.116 -17.792 1.00 43.22 H new ATOM 0 HD12 LEU A 150 -5.350 -2.602 -19.485 1.00 43.22 H new ATOM 0 HD13 LEU A 150 -4.376 -4.040 -19.097 1.00 43.22 H new ATOM 0 HD21 LEU A 150 -2.983 -2.808 -16.629 1.00 23.33 H new ATOM 0 HD22 LEU A 150 -2.111 -3.708 -17.893 1.00 23.33 H new ATOM 0 HD23 LEU A 150 -1.610 -2.053 -17.473 1.00 23.33 H new ATOM 2339 N GLU A 151 0.728 -1.147 -21.027 1.00 12.33 N ATOM 2340 CA GLU A 151 1.697 -1.277 -22.117 1.00 32.43 C ATOM 2341 C GLU A 151 1.278 -0.415 -23.317 1.00 54.50 C ATOM 2342 O GLU A 151 1.540 -0.757 -24.471 1.00 72.52 O ATOM 2343 CB GLU A 151 1.854 -2.748 -22.531 1.00 54.10 C ATOM 2344 CG GLU A 151 2.426 -3.642 -21.434 1.00 21.25 C ATOM 2345 CD GLU A 151 2.707 -5.058 -21.915 1.00 11.30 C ATOM 2346 OE1 GLU A 151 1.796 -5.913 -21.839 1.00 60.55 O ATOM 2347 OE2 GLU A 151 3.838 -5.321 -22.379 1.00 11.52 O ATOM 0 H GLU A 151 1.128 -0.801 -20.154 1.00 12.33 H new ATOM 0 HA GLU A 151 2.663 -0.920 -21.761 1.00 32.43 H new ATOM 0 HB2 GLU A 151 0.881 -3.136 -22.832 1.00 54.10 H new ATOM 0 HB3 GLU A 151 2.503 -2.802 -23.405 1.00 54.10 H new ATOM 0 HG2 GLU A 151 3.349 -3.201 -21.057 1.00 21.25 H new ATOM 0 HG3 GLU A 151 1.726 -3.679 -20.599 1.00 21.25 H new ATOM 2354 N HIS A 152 0.648 0.720 -23.021 1.00 51.35 N ATOM 2355 CA HIS A 152 0.149 1.637 -24.048 1.00 54.13 C ATOM 2356 C HIS A 152 1.310 2.347 -24.769 1.00 43.05 C ATOM 2357 O HIS A 152 1.575 3.527 -24.545 1.00 74.31 O ATOM 2358 CB HIS A 152 -0.806 2.654 -23.394 1.00 53.00 C ATOM 2359 CG HIS A 152 -1.438 3.632 -24.340 1.00 1.11 C ATOM 2360 ND1 HIS A 152 -1.090 4.965 -24.383 1.00 41.02 N ATOM 2361 CD2 HIS A 152 -2.421 3.476 -25.258 1.00 32.04 C ATOM 2362 CE1 HIS A 152 -1.830 5.584 -25.279 1.00 25.20 C ATOM 2363 NE2 HIS A 152 -2.644 4.705 -25.826 1.00 74.22 N ATOM 0 H HIS A 152 0.469 1.031 -22.066 1.00 51.35 H new ATOM 0 HA HIS A 152 -0.396 1.069 -24.802 1.00 54.13 H new ATOM 0 HB2 HIS A 152 -1.596 2.108 -22.879 1.00 53.00 H new ATOM 0 HB3 HIS A 152 -0.256 3.210 -22.635 1.00 53.00 H new ATOM 0 HD2 HIS A 152 -2.934 2.556 -25.498 1.00 32.04 H new ATOM 0 HE1 HIS A 152 -1.778 6.635 -25.524 1.00 25.20 H new ATOM 0 HE2 HIS A 152 -3.329 4.905 -26.554 1.00 74.22 H new ATOM 2372 N HIS A 153 2.019 1.605 -25.618 1.00 71.55 N ATOM 2373 CA HIS A 153 3.143 2.149 -26.388 1.00 13.25 C ATOM 2374 C HIS A 153 2.850 2.070 -27.893 1.00 13.03 C ATOM 2375 O HIS A 153 2.827 0.981 -28.470 1.00 4.12 O ATOM 2376 CB HIS A 153 4.434 1.373 -26.078 1.00 75.52 C ATOM 2377 CG HIS A 153 4.686 1.162 -24.613 1.00 75.03 C ATOM 2378 ND1 HIS A 153 4.725 -0.088 -24.029 1.00 71.04 N ATOM 2379 CD2 HIS A 153 4.928 2.043 -23.614 1.00 52.35 C ATOM 2380 CE1 HIS A 153 4.978 0.037 -22.743 1.00 22.05 C ATOM 2381 NE2 HIS A 153 5.107 1.315 -22.465 1.00 42.11 N ATOM 0 H HIS A 153 1.835 0.617 -25.793 1.00 71.55 H new ATOM 0 HA HIS A 153 3.275 3.193 -26.102 1.00 13.25 H new ATOM 0 HB2 HIS A 153 4.389 0.402 -26.571 1.00 75.52 H new ATOM 0 HB3 HIS A 153 5.280 1.910 -26.508 1.00 75.52 H new ATOM 0 HD2 HIS A 153 4.972 3.118 -23.705 1.00 52.35 H new ATOM 0 HE1 HIS A 153 5.065 -0.774 -22.035 1.00 22.05 H new ATOM 0 HE2 HIS A 153 5.308 1.703 -21.543 1.00 42.11 H new ATOM 2390 N HIS A 154 2.614 3.217 -28.523 1.00 12.25 N ATOM 2391 CA HIS A 154 2.351 3.257 -29.965 1.00 23.33 C ATOM 2392 C HIS A 154 3.667 3.203 -30.760 1.00 71.30 C ATOM 2393 O HIS A 154 3.722 2.648 -31.857 1.00 43.11 O ATOM 2394 CB HIS A 154 1.555 4.518 -30.325 1.00 52.21 C ATOM 2395 CG HIS A 154 1.080 4.548 -31.745 1.00 53.53 C ATOM 2396 ND1 HIS A 154 0.026 3.783 -32.199 1.00 21.22 N ATOM 2397 CD2 HIS A 154 1.520 5.249 -32.818 1.00 50.42 C ATOM 2398 CE1 HIS A 154 -0.159 4.009 -33.482 1.00 20.02 C ATOM 2399 NE2 HIS A 154 0.731 4.894 -33.882 1.00 25.11 N ATOM 0 H HIS A 154 2.599 4.128 -28.065 1.00 12.25 H new ATOM 0 HA HIS A 154 1.757 2.383 -30.232 1.00 23.33 H new ATOM 0 HB2 HIS A 154 0.693 4.594 -29.662 1.00 52.21 H new ATOM 0 HB3 HIS A 154 2.177 5.394 -30.141 1.00 52.21 H new ATOM 0 HD2 HIS A 154 2.338 5.954 -32.832 1.00 50.42 H new ATOM 0 HE1 HIS A 154 -0.913 3.547 -34.102 1.00 20.02 H new ATOM 0 HE2 HIS A 154 0.819 5.257 -34.831 1.00 25.11 H new ATOM 2408 N HIS A 155 4.722 3.793 -30.198 1.00 23.21 N ATOM 2409 CA HIS A 155 6.060 3.717 -30.790 1.00 74.10 C ATOM 2410 C HIS A 155 6.881 2.588 -30.144 1.00 12.10 C ATOM 2411 O HIS A 155 7.394 2.735 -29.034 1.00 25.20 O ATOM 2412 CB HIS A 155 6.797 5.061 -30.642 1.00 32.03 C ATOM 2413 CG HIS A 155 8.192 5.056 -31.199 1.00 24.21 C ATOM 2414 ND1 HIS A 155 8.485 5.393 -32.502 1.00 4.13 N ATOM 2415 CD2 HIS A 155 9.382 4.750 -30.623 1.00 13.41 C ATOM 2416 CE1 HIS A 155 9.783 5.294 -32.704 1.00 3.03 C ATOM 2417 NE2 HIS A 155 10.348 4.907 -31.582 1.00 22.31 N ATOM 0 H HIS A 155 4.677 4.330 -29.332 1.00 23.21 H new ATOM 0 HA HIS A 155 5.946 3.497 -31.851 1.00 74.10 H new ATOM 0 HB2 HIS A 155 6.219 5.838 -31.143 1.00 32.03 H new ATOM 0 HB3 HIS A 155 6.839 5.326 -29.586 1.00 32.03 H new ATOM 0 HD2 HIS A 155 9.538 4.441 -29.600 1.00 13.41 H new ATOM 0 HE1 HIS A 155 10.295 5.496 -33.633 1.00 3.03 H new ATOM 0 HE2 HIS A 155 11.347 4.749 -31.447 1.00 22.31 H new ATOM 2426 N HIS A 156 6.990 1.458 -30.836 1.00 15.13 N ATOM 2427 CA HIS A 156 7.794 0.333 -30.351 1.00 42.51 C ATOM 2428 C HIS A 156 9.294 0.665 -30.387 1.00 72.43 C ATOM 2429 O HIS A 156 9.936 0.525 -31.428 1.00 24.02 O ATOM 2430 CB HIS A 156 7.515 -0.921 -31.197 1.00 43.33 C ATOM 2431 CG HIS A 156 8.289 -2.132 -30.760 1.00 52.31 C ATOM 2432 ND1 HIS A 156 9.625 -2.325 -31.053 1.00 34.14 N ATOM 2433 CD2 HIS A 156 7.909 -3.215 -30.043 1.00 13.23 C ATOM 2434 CE1 HIS A 156 10.026 -3.468 -30.535 1.00 54.43 C ATOM 2435 NE2 HIS A 156 9.007 -4.028 -29.918 1.00 41.24 N ATOM 0 H HIS A 156 6.534 1.294 -31.733 1.00 15.13 H new ATOM 0 HA HIS A 156 7.512 0.140 -29.316 1.00 42.51 H new ATOM 0 HB2 HIS A 156 6.450 -1.147 -31.154 1.00 43.33 H new ATOM 0 HB3 HIS A 156 7.753 -0.706 -32.239 1.00 43.33 H new ATOM 0 HD1 HIS A 156 10.210 -1.683 -31.587 1.00 34.14 H new ATOM 0 HD2 HIS A 156 6.924 -3.404 -29.643 1.00 13.23 H new ATOM 0 HE1 HIS A 156 11.023 -3.877 -30.605 1.00 54.43 H new ATOM 2444 N HIS A 157 9.841 1.120 -29.256 1.00 72.13 N ATOM 2445 CA HIS A 157 11.279 1.427 -29.168 1.00 32.23 C ATOM 2446 C HIS A 157 12.154 0.196 -29.501 1.00 54.24 C ATOM 2447 O HIS A 157 12.847 0.220 -30.543 1.00 37.21 O ATOM 2448 CB HIS A 157 11.645 2.008 -27.784 1.00 74.44 C ATOM 2449 CG HIS A 157 11.146 1.225 -26.601 1.00 2.34 C ATOM 2450 ND1 HIS A 157 10.020 1.580 -25.888 1.00 1.22 N ATOM 2451 CD2 HIS A 157 11.637 0.118 -25.986 1.00 3.51 C ATOM 2452 CE1 HIS A 157 9.841 0.733 -24.895 1.00 73.04 C ATOM 2453 NE2 HIS A 157 10.804 -0.163 -24.934 1.00 52.22 N ATOM 2454 OXT HIS A 157 12.126 -0.795 -28.737 1.00 37.21 O ATOM 0 H HIS A 157 9.320 1.284 -28.395 1.00 72.13 H new ATOM 0 HA HIS A 157 11.489 2.188 -29.920 1.00 32.23 H new ATOM 0 HB2 HIS A 157 12.730 2.083 -27.716 1.00 74.44 H new ATOM 0 HB3 HIS A 157 11.251 3.022 -27.719 1.00 74.44 H new ATOM 0 HD2 HIS A 157 12.518 -0.437 -26.272 1.00 3.51 H new ATOM 0 HE1 HIS A 157 9.040 0.768 -24.172 1.00 73.04 H new ATOM 0 HE2 HIS A 157 10.913 -0.942 -24.285 1.00 52.22 H new TER 2463 HIS A 157