USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -160:sc= -0.183 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.555 K(o=0.37,f=-7.6!) USER MOD Set 2.1: A 16 SER OG : rot 52:sc= 0.32 USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0.216 K(o=0.54,f=-0.091) USER MOD Set 3.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -172:sc= 0 (180deg=-0.0858) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.712 X(o=-0.71,f=-0.56) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0587) USER MOD Single : A 30 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.017) USER MOD Single : A 33 ASN : amide:sc= -0.322 K(o=-0.32,f=-4.2!) USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 0.13 (180deg=0.0151) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 46 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.35) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.661 -28.203 -15.724 1.00 63.13 N ATOM 2 CA LYS A 1 -11.376 -28.264 -14.448 1.00 12.21 C ATOM 3 C LYS A 1 -12.413 -27.172 -14.414 1.00 15.43 C ATOM 4 O LYS A 1 -12.098 -26.025 -14.700 1.00 24.43 O ATOM 5 CB LYS A 1 -10.413 -28.079 -13.270 1.00 14.23 C ATOM 6 CG LYS A 1 -9.340 -29.149 -13.151 1.00 34.43 C ATOM 7 CD LYS A 1 -8.409 -28.885 -11.974 1.00 60.12 C ATOM 8 CE LYS A 1 -9.150 -28.897 -10.648 1.00 53.33 C ATOM 9 NZ LYS A 1 -8.255 -28.617 -9.509 1.00 21.10 N ATOM 0 H1 LYS A 1 -10.039 -29.032 -15.814 1.00 63.13 H new ATOM 0 H2 LYS A 1 -11.346 -28.198 -16.506 1.00 63.13 H new ATOM 0 H3 LYS A 1 -10.089 -27.335 -15.760 1.00 63.13 H new ATOM 0 HA LYS A 1 -11.848 -29.242 -14.359 1.00 12.21 H new ATOM 0 HB2 LYS A 1 -9.929 -27.107 -13.364 1.00 14.23 H new ATOM 0 HB3 LYS A 1 -10.991 -28.059 -12.346 1.00 14.23 H new ATOM 0 HG2 LYS A 1 -9.811 -30.125 -13.031 1.00 34.43 H new ATOM 0 HG3 LYS A 1 -8.760 -29.186 -14.073 1.00 34.43 H new ATOM 0 HD2 LYS A 1 -7.623 -29.640 -11.957 1.00 60.12 H new ATOM 0 HD3 LYS A 1 -7.921 -27.920 -12.108 1.00 60.12 H new ATOM 0 HE2 LYS A 1 -9.948 -28.155 -10.672 1.00 53.33 H new ATOM 0 HE3 LYS A 1 -9.623 -29.869 -10.506 1.00 53.33 H new ATOM 0 HZ1 LYS A 1 -8.802 -28.635 -8.625 1.00 21.10 H new ATOM 0 HZ2 LYS A 1 -7.508 -29.339 -9.469 1.00 21.10 H new ATOM 0 HZ3 LYS A 1 -7.823 -27.679 -9.630 1.00 21.10 H new ATOM 23 N PRO A 2 -13.669 -27.501 -14.080 1.00 22.24 N ATOM 24 CA PRO A 2 -14.740 -26.520 -14.027 1.00 63.11 C ATOM 25 C PRO A 2 -14.568 -25.538 -12.870 1.00 20.13 C ATOM 26 O PRO A 2 -14.969 -25.810 -11.730 1.00 14.23 O ATOM 27 CB PRO A 2 -16.010 -27.355 -13.856 1.00 62.42 C ATOM 28 CG PRO A 2 -15.545 -28.630 -13.244 1.00 41.24 C ATOM 29 CD PRO A 2 -14.144 -28.853 -13.742 1.00 5.45 C ATOM 0 HA PRO A 2 -14.761 -25.899 -14.922 1.00 63.11 H new ATOM 0 HB2 PRO A 2 -16.733 -26.849 -13.216 1.00 62.42 H new ATOM 0 HB3 PRO A 2 -16.500 -27.531 -14.814 1.00 62.42 H new ATOM 0 HG2 PRO A 2 -15.565 -28.569 -12.156 1.00 41.24 H new ATOM 0 HG3 PRO A 2 -16.195 -29.457 -13.529 1.00 41.24 H new ATOM 0 HD2 PRO A 2 -13.518 -29.317 -12.980 1.00 5.45 H new ATOM 0 HD3 PRO A 2 -14.129 -29.511 -14.611 1.00 5.45 H new ATOM 37 N VAL A 3 -13.896 -24.456 -13.158 1.00 71.43 N ATOM 38 CA VAL A 3 -13.648 -23.380 -12.230 1.00 14.35 C ATOM 39 C VAL A 3 -12.946 -22.249 -12.976 1.00 3.43 C ATOM 40 O VAL A 3 -11.849 -22.425 -13.521 1.00 62.54 O ATOM 41 CB VAL A 3 -12.824 -23.833 -10.957 1.00 24.41 C ATOM 42 CG1 VAL A 3 -11.471 -24.455 -11.316 1.00 31.12 C ATOM 43 CG2 VAL A 3 -12.647 -22.674 -9.983 1.00 13.20 C ATOM 0 H VAL A 3 -13.490 -24.291 -14.079 1.00 71.43 H new ATOM 0 HA VAL A 3 -14.606 -23.035 -11.841 1.00 14.35 H new ATOM 0 HB VAL A 3 -13.408 -24.614 -10.470 1.00 24.41 H new ATOM 0 HG11 VAL A 3 -10.951 -24.746 -10.403 1.00 31.12 H new ATOM 0 HG12 VAL A 3 -11.629 -25.335 -11.940 1.00 31.12 H new ATOM 0 HG13 VAL A 3 -10.869 -23.727 -11.860 1.00 31.12 H new ATOM 0 HG21 VAL A 3 -12.078 -23.011 -9.117 1.00 13.20 H new ATOM 0 HG22 VAL A 3 -12.112 -21.863 -10.476 1.00 13.20 H new ATOM 0 HG23 VAL A 3 -13.625 -22.319 -9.659 1.00 13.20 H new ATOM 53 N SER A 4 -13.584 -21.126 -13.049 1.00 52.34 N ATOM 54 CA SER A 4 -13.033 -20.016 -13.757 1.00 5.40 C ATOM 55 C SER A 4 -12.716 -18.889 -12.806 1.00 2.54 C ATOM 56 O SER A 4 -13.521 -18.543 -11.936 1.00 72.55 O ATOM 57 CB SER A 4 -14.007 -19.545 -14.859 1.00 64.01 C ATOM 58 OG SER A 4 -13.483 -18.443 -15.612 1.00 64.21 O ATOM 0 H SER A 4 -14.495 -20.952 -12.623 1.00 52.34 H new ATOM 0 HA SER A 4 -12.104 -20.332 -14.232 1.00 5.40 H new ATOM 0 HB2 SER A 4 -14.219 -20.375 -15.533 1.00 64.01 H new ATOM 0 HB3 SER A 4 -14.954 -19.254 -14.404 1.00 64.01 H new ATOM 0 HG SER A 4 -14.130 -18.179 -16.299 1.00 64.21 H new ATOM 64 N LEU A 5 -11.544 -18.352 -12.942 1.00 41.04 N ATOM 65 CA LEU A 5 -11.152 -17.199 -12.203 1.00 20.23 C ATOM 66 C LEU A 5 -11.074 -16.045 -13.171 1.00 1.13 C ATOM 67 O LEU A 5 -10.038 -15.825 -13.823 1.00 73.13 O ATOM 68 CB LEU A 5 -9.796 -17.378 -11.453 1.00 73.21 C ATOM 69 CG LEU A 5 -9.707 -18.452 -10.334 1.00 2.32 C ATOM 70 CD1 LEU A 5 -10.776 -18.250 -9.275 1.00 32.02 C ATOM 71 CD2 LEU A 5 -9.728 -19.873 -10.886 1.00 24.10 C ATOM 0 H LEU A 5 -10.828 -18.707 -13.576 1.00 41.04 H new ATOM 0 HA LEU A 5 -11.892 -17.017 -11.424 1.00 20.23 H new ATOM 0 HB2 LEU A 5 -9.033 -17.609 -12.197 1.00 73.21 H new ATOM 0 HB3 LEU A 5 -9.531 -16.417 -11.013 1.00 73.21 H new ATOM 0 HG LEU A 5 -8.738 -18.317 -9.853 1.00 2.32 H new ATOM 0 HD11 LEU A 5 -10.681 -19.021 -8.510 1.00 32.02 H new ATOM 0 HD12 LEU A 5 -10.654 -17.268 -8.818 1.00 32.02 H new ATOM 0 HD13 LEU A 5 -11.762 -18.316 -9.736 1.00 32.02 H new ATOM 0 HD21 LEU A 5 -9.663 -20.584 -10.063 1.00 24.10 H new ATOM 0 HD22 LEU A 5 -10.655 -20.036 -11.435 1.00 24.10 H new ATOM 0 HD23 LEU A 5 -8.880 -20.016 -11.556 1.00 24.10 H new ATOM 83 N SER A 6 -12.179 -15.364 -13.340 1.00 55.53 N ATOM 84 CA SER A 6 -12.243 -14.237 -14.237 1.00 41.04 C ATOM 85 C SER A 6 -11.584 -13.037 -13.588 1.00 54.51 C ATOM 86 O SER A 6 -11.080 -12.137 -14.265 1.00 33.43 O ATOM 87 CB SER A 6 -13.694 -13.940 -14.615 1.00 4.13 C ATOM 88 OG SER A 6 -14.296 -15.080 -15.233 1.00 30.24 O ATOM 0 H SER A 6 -13.056 -15.573 -12.863 1.00 55.53 H new ATOM 0 HA SER A 6 -11.705 -14.471 -15.156 1.00 41.04 H new ATOM 0 HB2 SER A 6 -14.258 -13.662 -13.725 1.00 4.13 H new ATOM 0 HB3 SER A 6 -13.732 -13.089 -15.295 1.00 4.13 H new ATOM 0 HG SER A 6 -15.225 -14.873 -15.467 1.00 30.24 H new ATOM 94 N TYR A 7 -11.595 -13.035 -12.277 1.00 1.51 N ATOM 95 CA TYR A 7 -10.961 -12.028 -11.496 1.00 12.52 C ATOM 96 C TYR A 7 -10.238 -12.665 -10.330 1.00 22.34 C ATOM 97 O TYR A 7 -10.837 -13.404 -9.551 1.00 11.40 O ATOM 98 CB TYR A 7 -11.982 -11.024 -10.950 1.00 20.10 C ATOM 99 CG TYR A 7 -12.725 -10.229 -11.992 1.00 24.44 C ATOM 100 CD1 TYR A 7 -12.073 -9.269 -12.746 1.00 73.33 C ATOM 101 CD2 TYR A 7 -14.080 -10.439 -12.225 1.00 2.12 C ATOM 102 CE1 TYR A 7 -12.743 -8.537 -13.698 1.00 3.31 C ATOM 103 CE2 TYR A 7 -14.758 -9.707 -13.178 1.00 54.30 C ATOM 104 CZ TYR A 7 -14.085 -8.758 -13.910 1.00 2.41 C ATOM 105 OH TYR A 7 -14.758 -8.012 -14.860 1.00 74.02 O ATOM 0 H TYR A 7 -12.058 -13.754 -11.721 1.00 1.51 H new ATOM 0 HA TYR A 7 -10.256 -11.501 -12.139 1.00 12.52 H new ATOM 0 HB2 TYR A 7 -12.708 -11.564 -10.343 1.00 20.10 H new ATOM 0 HB3 TYR A 7 -11.465 -10.330 -10.287 1.00 20.10 H new ATOM 0 HD1 TYR A 7 -11.020 -9.092 -12.584 1.00 73.33 H new ATOM 0 HD2 TYR A 7 -14.609 -11.186 -11.652 1.00 2.12 H new ATOM 0 HE1 TYR A 7 -12.218 -7.792 -14.277 1.00 3.31 H new ATOM 0 HE2 TYR A 7 -15.811 -9.879 -13.348 1.00 54.30 H new ATOM 0 HH TYR A 7 -15.697 -8.290 -14.889 1.00 74.02 H new ATOM 115 N ARG A 8 -8.966 -12.420 -10.234 1.00 23.12 N ATOM 116 CA ARG A 8 -8.204 -12.833 -9.085 1.00 4.11 C ATOM 117 C ARG A 8 -7.525 -11.605 -8.538 1.00 21.44 C ATOM 118 O ARG A 8 -7.201 -10.684 -9.298 1.00 71.33 O ATOM 119 CB ARG A 8 -7.185 -13.954 -9.409 1.00 32.25 C ATOM 120 CG ARG A 8 -6.115 -13.590 -10.427 1.00 51.31 C ATOM 121 CD ARG A 8 -5.139 -14.741 -10.656 1.00 51.15 C ATOM 122 NE ARG A 8 -4.416 -15.121 -9.427 1.00 74.34 N ATOM 123 CZ ARG A 8 -3.398 -16.006 -9.367 1.00 60.20 C ATOM 124 NH1 ARG A 8 -2.948 -16.598 -10.474 1.00 5.23 N ATOM 125 NH2 ARG A 8 -2.836 -16.284 -8.198 1.00 11.13 N ATOM 0 H ARG A 8 -8.424 -11.930 -10.946 1.00 23.12 H new ATOM 0 HA ARG A 8 -8.872 -13.270 -8.342 1.00 4.11 H new ATOM 0 HB2 ARG A 8 -6.694 -14.254 -8.483 1.00 32.25 H new ATOM 0 HB3 ARG A 8 -7.731 -14.823 -9.776 1.00 32.25 H new ATOM 0 HG2 ARG A 8 -6.588 -13.320 -11.371 1.00 51.31 H new ATOM 0 HG3 ARG A 8 -5.568 -12.712 -10.082 1.00 51.31 H new ATOM 0 HD2 ARG A 8 -5.684 -15.605 -11.035 1.00 51.15 H new ATOM 0 HD3 ARG A 8 -4.420 -14.456 -11.424 1.00 51.15 H new ATOM 0 HE ARG A 8 -4.708 -14.681 -8.555 1.00 74.34 H new ATOM 0 HH11 ARG A 8 -3.373 -16.384 -11.376 1.00 5.23 H new ATOM 0 HH12 ARG A 8 -2.178 -17.265 -10.419 1.00 5.23 H new ATOM 0 HH21 ARG A 8 -3.173 -15.830 -7.349 1.00 11.13 H new ATOM 0 HH22 ARG A 8 -2.067 -16.952 -8.148 1.00 11.13 H new ATOM 139 N CYS A 9 -7.320 -11.555 -7.266 1.00 31.20 N ATOM 140 CA CYS A 9 -6.764 -10.372 -6.687 1.00 3.31 C ATOM 141 C CYS A 9 -5.363 -10.643 -6.160 1.00 12.03 C ATOM 142 O CYS A 9 -5.109 -11.698 -5.570 1.00 13.12 O ATOM 143 CB CYS A 9 -7.708 -9.854 -5.603 1.00 22.10 C ATOM 144 SG CYS A 9 -9.389 -9.498 -6.248 1.00 22.24 S ATOM 0 H CYS A 9 -7.525 -12.309 -6.610 1.00 31.20 H new ATOM 0 HA CYS A 9 -6.664 -9.595 -7.445 1.00 3.31 H new ATOM 0 HB2 CYS A 9 -7.778 -10.591 -4.803 1.00 22.10 H new ATOM 0 HB3 CYS A 9 -7.291 -8.947 -5.165 1.00 22.10 H new ATOM 149 N PRO A 10 -4.424 -9.697 -6.401 1.00 31.12 N ATOM 150 CA PRO A 10 -3.004 -9.838 -6.033 1.00 2.41 C ATOM 151 C PRO A 10 -2.750 -10.142 -4.554 1.00 2.55 C ATOM 152 O PRO A 10 -2.010 -11.077 -4.223 1.00 31.51 O ATOM 153 CB PRO A 10 -2.401 -8.475 -6.391 1.00 14.52 C ATOM 154 CG PRO A 10 -3.307 -7.917 -7.427 1.00 11.54 C ATOM 155 CD PRO A 10 -4.676 -8.406 -7.088 1.00 74.24 C ATOM 0 HA PRO A 10 -2.567 -10.689 -6.555 1.00 2.41 H new ATOM 0 HB2 PRO A 10 -2.350 -7.824 -5.518 1.00 14.52 H new ATOM 0 HB3 PRO A 10 -1.384 -8.580 -6.770 1.00 14.52 H new ATOM 0 HG2 PRO A 10 -3.272 -6.828 -7.429 1.00 11.54 H new ATOM 0 HG3 PRO A 10 -3.011 -8.247 -8.423 1.00 11.54 H new ATOM 0 HD2 PRO A 10 -5.204 -7.704 -6.442 1.00 74.24 H new ATOM 0 HD3 PRO A 10 -5.287 -8.539 -7.981 1.00 74.24 H new ATOM 163 N CYS A 11 -3.353 -9.389 -3.675 1.00 50.42 N ATOM 164 CA CYS A 11 -3.066 -9.539 -2.271 1.00 41.42 C ATOM 165 C CYS A 11 -4.258 -9.949 -1.457 1.00 4.23 C ATOM 166 O CYS A 11 -5.253 -9.245 -1.387 1.00 11.35 O ATOM 167 CB CYS A 11 -2.440 -8.276 -1.700 1.00 21.41 C ATOM 168 SG CYS A 11 -0.790 -7.898 -2.365 1.00 65.14 S ATOM 0 H CYS A 11 -4.041 -8.671 -3.901 1.00 50.42 H new ATOM 0 HA CYS A 11 -2.347 -10.356 -2.201 1.00 41.42 H new ATOM 0 HB2 CYS A 11 -3.102 -7.433 -1.899 1.00 21.41 H new ATOM 0 HB3 CYS A 11 -2.369 -8.376 -0.617 1.00 21.41 H new ATOM 173 N ARG A 12 -4.160 -11.107 -0.874 1.00 50.44 N ATOM 174 CA ARG A 12 -5.160 -11.594 0.036 1.00 44.32 C ATOM 175 C ARG A 12 -4.629 -11.436 1.457 1.00 71.10 C ATOM 176 O ARG A 12 -5.380 -11.198 2.398 1.00 3.01 O ATOM 177 CB ARG A 12 -5.467 -13.056 -0.276 1.00 73.43 C ATOM 178 CG ARG A 12 -6.535 -13.681 0.599 1.00 42.42 C ATOM 179 CD ARG A 12 -6.793 -15.110 0.178 1.00 22.42 C ATOM 180 NE ARG A 12 -5.584 -15.937 0.272 1.00 33.23 N ATOM 181 CZ ARG A 12 -5.252 -16.901 -0.597 1.00 55.14 C ATOM 182 NH1 ARG A 12 -6.028 -17.147 -1.652 1.00 25.10 N ATOM 183 NH2 ARG A 12 -4.139 -17.613 -0.416 1.00 74.10 N ATOM 0 H ARG A 12 -3.379 -11.747 -1.016 1.00 50.44 H new ATOM 0 HA ARG A 12 -6.086 -11.028 -0.067 1.00 44.32 H new ATOM 0 HB2 ARG A 12 -5.779 -13.133 -1.317 1.00 73.43 H new ATOM 0 HB3 ARG A 12 -4.549 -13.635 -0.175 1.00 73.43 H new ATOM 0 HG2 ARG A 12 -6.221 -13.654 1.642 1.00 42.42 H new ATOM 0 HG3 ARG A 12 -7.456 -13.103 0.528 1.00 42.42 H new ATOM 0 HD2 ARG A 12 -7.575 -15.538 0.806 1.00 22.42 H new ATOM 0 HD3 ARG A 12 -7.164 -15.125 -0.847 1.00 22.42 H new ATOM 0 HE ARG A 12 -4.952 -15.766 1.054 1.00 33.23 H new ATOM 0 HH11 ARG A 12 -6.877 -16.601 -1.799 1.00 25.10 H new ATOM 0 HH12 ARG A 12 -5.773 -17.881 -2.312 1.00 25.10 H new ATOM 0 HH21 ARG A 12 -3.538 -17.424 0.386 1.00 74.10 H new ATOM 0 HH22 ARG A 12 -3.889 -18.346 -1.080 1.00 74.10 H new ATOM 197 N PHE A 13 -3.322 -11.547 1.588 1.00 70.13 N ATOM 198 CA PHE A 13 -2.660 -11.388 2.862 1.00 71.14 C ATOM 199 C PHE A 13 -1.936 -10.045 2.894 1.00 54.25 C ATOM 200 O PHE A 13 -1.271 -9.680 1.935 1.00 23.23 O ATOM 201 CB PHE A 13 -1.695 -12.577 3.142 1.00 24.24 C ATOM 202 CG PHE A 13 -0.599 -12.791 2.116 1.00 31.14 C ATOM 203 CD1 PHE A 13 -0.850 -13.488 0.943 1.00 52.30 C ATOM 204 CD2 PHE A 13 0.677 -12.299 2.333 1.00 22.42 C ATOM 205 CE1 PHE A 13 0.150 -13.686 0.009 1.00 72.12 C ATOM 206 CE2 PHE A 13 1.681 -12.494 1.402 1.00 5.25 C ATOM 207 CZ PHE A 13 1.415 -13.187 0.239 1.00 33.41 C ATOM 0 H PHE A 13 -2.691 -11.750 0.813 1.00 70.13 H new ATOM 0 HA PHE A 13 -3.404 -11.395 3.659 1.00 71.14 H new ATOM 0 HB2 PHE A 13 -1.230 -12.422 4.116 1.00 24.24 H new ATOM 0 HB3 PHE A 13 -2.285 -13.491 3.212 1.00 24.24 H new ATOM 0 HD1 PHE A 13 -1.839 -13.881 0.757 1.00 52.30 H new ATOM 0 HD2 PHE A 13 0.891 -11.756 3.241 1.00 22.42 H new ATOM 0 HE1 PHE A 13 -0.059 -14.231 -0.900 1.00 72.12 H new ATOM 0 HE2 PHE A 13 2.672 -12.104 1.585 1.00 5.25 H new ATOM 0 HZ PHE A 13 2.197 -13.339 -0.491 1.00 33.41 H new ATOM 217 N PHE A 14 -2.105 -9.307 3.969 1.00 53.21 N ATOM 218 CA PHE A 14 -1.504 -7.973 4.107 1.00 11.14 C ATOM 219 C PHE A 14 -0.884 -7.851 5.479 1.00 73.23 C ATOM 220 O PHE A 14 -1.345 -8.503 6.427 1.00 65.11 O ATOM 221 CB PHE A 14 -2.580 -6.875 4.036 1.00 71.30 C ATOM 222 CG PHE A 14 -3.495 -6.863 2.845 1.00 62.43 C ATOM 223 CD1 PHE A 14 -4.650 -7.629 2.845 1.00 44.33 C ATOM 224 CD2 PHE A 14 -3.225 -6.069 1.749 1.00 31.23 C ATOM 225 CE1 PHE A 14 -5.511 -7.608 1.777 1.00 74.24 C ATOM 226 CE2 PHE A 14 -4.085 -6.038 0.678 1.00 14.13 C ATOM 227 CZ PHE A 14 -5.232 -6.812 0.691 1.00 12.21 C ATOM 0 H PHE A 14 -2.657 -9.601 4.775 1.00 53.21 H new ATOM 0 HA PHE A 14 -0.776 -7.855 3.305 1.00 11.14 H new ATOM 0 HB2 PHE A 14 -3.197 -6.953 4.931 1.00 71.30 H new ATOM 0 HB3 PHE A 14 -2.076 -5.910 4.080 1.00 71.30 H new ATOM 0 HD1 PHE A 14 -4.876 -8.252 3.698 1.00 44.33 H new ATOM 0 HD2 PHE A 14 -2.329 -5.466 1.733 1.00 31.23 H new ATOM 0 HE1 PHE A 14 -6.405 -8.214 1.789 1.00 74.24 H new ATOM 0 HE2 PHE A 14 -3.866 -5.410 -0.173 1.00 14.13 H new ATOM 0 HZ PHE A 14 -5.908 -6.791 -0.151 1.00 12.21 H new ATOM 237 N GLU A 15 0.152 -7.061 5.599 1.00 62.12 N ATOM 238 CA GLU A 15 0.665 -6.741 6.896 1.00 72.44 C ATOM 239 C GLU A 15 -0.032 -5.523 7.456 1.00 63.30 C ATOM 240 O GLU A 15 -0.108 -4.480 6.805 1.00 2.03 O ATOM 241 CB GLU A 15 2.189 -6.598 6.958 1.00 30.23 C ATOM 242 CG GLU A 15 2.903 -7.910 6.914 1.00 72.12 C ATOM 243 CD GLU A 15 4.380 -7.821 7.210 1.00 71.21 C ATOM 244 OE1 GLU A 15 4.748 -7.707 8.403 1.00 25.42 O ATOM 245 OE2 GLU A 15 5.192 -7.889 6.273 1.00 44.24 O ATOM 0 H GLU A 15 0.650 -6.633 4.818 1.00 62.12 H new ATOM 0 HA GLU A 15 0.442 -7.602 7.527 1.00 72.44 H new ATOM 0 HB2 GLU A 15 2.524 -5.981 6.125 1.00 30.23 H new ATOM 0 HB3 GLU A 15 2.462 -6.073 7.874 1.00 30.23 H new ATOM 0 HG2 GLU A 15 2.440 -8.587 7.632 1.00 72.12 H new ATOM 0 HG3 GLU A 15 2.768 -8.352 5.927 1.00 72.12 H new ATOM 252 N SER A 16 -0.554 -5.664 8.648 1.00 24.33 N ATOM 253 CA SER A 16 -1.266 -4.604 9.312 1.00 42.11 C ATOM 254 C SER A 16 -0.348 -3.854 10.271 1.00 64.55 C ATOM 255 O SER A 16 -0.772 -2.961 10.999 1.00 74.12 O ATOM 256 CB SER A 16 -2.469 -5.193 10.040 1.00 21.00 C ATOM 257 OG SER A 16 -2.075 -6.285 10.866 1.00 12.44 O ATOM 0 H SER A 16 -0.496 -6.527 9.189 1.00 24.33 H new ATOM 0 HA SER A 16 -1.618 -3.883 8.574 1.00 42.11 H new ATOM 0 HB2 SER A 16 -2.944 -4.424 10.649 1.00 21.00 H new ATOM 0 HB3 SER A 16 -3.210 -5.529 9.315 1.00 21.00 H new ATOM 0 HG SER A 16 -1.335 -6.007 11.445 1.00 12.44 H new ATOM 263 N HIS A 17 0.910 -4.244 10.281 1.00 74.34 N ATOM 264 CA HIS A 17 1.924 -3.606 11.099 1.00 51.44 C ATOM 265 C HIS A 17 3.197 -3.567 10.301 1.00 64.44 C ATOM 266 O HIS A 17 3.929 -4.556 10.241 1.00 14.50 O ATOM 267 CB HIS A 17 2.150 -4.374 12.417 1.00 10.33 C ATOM 268 CG HIS A 17 0.921 -4.497 13.255 1.00 14.13 C ATOM 269 ND1 HIS A 17 0.050 -5.552 13.145 1.00 45.34 N ATOM 270 CD2 HIS A 17 0.398 -3.680 14.193 1.00 5.13 C ATOM 271 CE1 HIS A 17 -0.950 -5.378 13.968 1.00 12.52 C ATOM 272 NE2 HIS A 17 -0.764 -4.255 14.617 1.00 23.31 N ATOM 0 H HIS A 17 1.261 -5.018 9.718 1.00 74.34 H new ATOM 0 HA HIS A 17 1.599 -2.600 11.364 1.00 51.44 H new ATOM 0 HB2 HIS A 17 2.524 -5.372 12.187 1.00 10.33 H new ATOM 0 HB3 HIS A 17 2.924 -3.868 12.994 1.00 10.33 H new ATOM 0 HD2 HIS A 17 0.819 -2.749 14.542 1.00 5.13 H new ATOM 0 HE1 HIS A 17 -1.789 -6.047 14.092 1.00 12.52 H new ATOM 0 HE2 HIS A 17 -1.389 -3.872 15.326 1.00 23.31 H new ATOM 281 N VAL A 18 3.433 -2.468 9.636 1.00 21.45 N ATOM 282 CA VAL A 18 4.561 -2.360 8.730 1.00 34.14 C ATOM 283 C VAL A 18 5.386 -1.111 9.054 1.00 52.42 C ATOM 284 O VAL A 18 4.839 -0.101 9.517 1.00 44.24 O ATOM 285 CB VAL A 18 4.074 -2.302 7.237 1.00 55.21 C ATOM 286 CG1 VAL A 18 5.240 -2.230 6.264 1.00 34.40 C ATOM 287 CG2 VAL A 18 3.184 -3.494 6.898 1.00 71.32 C ATOM 0 H VAL A 18 2.860 -1.627 9.701 1.00 21.45 H new ATOM 0 HA VAL A 18 5.185 -3.244 8.860 1.00 34.14 H new ATOM 0 HB VAL A 18 3.489 -1.388 7.133 1.00 55.21 H new ATOM 0 HG11 VAL A 18 4.860 -2.191 5.243 1.00 34.40 H new ATOM 0 HG12 VAL A 18 5.828 -1.335 6.466 1.00 34.40 H new ATOM 0 HG13 VAL A 18 5.869 -3.112 6.384 1.00 34.40 H new ATOM 0 HG21 VAL A 18 2.864 -3.425 5.858 1.00 71.32 H new ATOM 0 HG22 VAL A 18 3.743 -4.418 7.045 1.00 71.32 H new ATOM 0 HG23 VAL A 18 2.309 -3.491 7.548 1.00 71.32 H new ATOM 297 N ALA A 19 6.682 -1.179 8.830 1.00 4.43 N ATOM 298 CA ALA A 19 7.550 -0.061 9.060 1.00 22.05 C ATOM 299 C ALA A 19 7.839 0.629 7.741 1.00 41.30 C ATOM 300 O ALA A 19 8.367 0.015 6.820 1.00 40.30 O ATOM 301 CB ALA A 19 8.838 -0.521 9.723 1.00 32.24 C ATOM 0 H ALA A 19 7.155 -2.014 8.484 1.00 4.43 H new ATOM 0 HA ALA A 19 7.062 0.647 9.730 1.00 22.05 H new ATOM 0 HB1 ALA A 19 9.487 0.338 9.892 1.00 32.24 H new ATOM 0 HB2 ALA A 19 8.607 -0.994 10.677 1.00 32.24 H new ATOM 0 HB3 ALA A 19 9.345 -1.237 9.076 1.00 32.24 H new ATOM 307 N ARG A 20 7.507 1.903 7.660 1.00 53.25 N ATOM 308 CA ARG A 20 7.690 2.677 6.439 1.00 15.03 C ATOM 309 C ARG A 20 9.160 2.846 6.119 1.00 63.44 C ATOM 310 O ARG A 20 9.552 2.869 4.954 1.00 24.02 O ATOM 311 CB ARG A 20 6.999 4.032 6.558 1.00 64.14 C ATOM 312 CG ARG A 20 7.130 4.921 5.329 1.00 33.01 C ATOM 313 CD ARG A 20 6.265 6.146 5.476 1.00 13.15 C ATOM 314 NE ARG A 20 6.344 7.057 4.335 1.00 55.21 N ATOM 315 CZ ARG A 20 5.577 8.147 4.201 1.00 71.10 C ATOM 316 NH1 ARG A 20 4.699 8.467 5.148 1.00 12.30 N ATOM 317 NH2 ARG A 20 5.699 8.919 3.134 1.00 62.23 N ATOM 0 H ARG A 20 7.104 2.432 8.433 1.00 53.25 H new ATOM 0 HA ARG A 20 7.231 2.129 5.616 1.00 15.03 H new ATOM 0 HB2 ARG A 20 5.941 3.869 6.761 1.00 64.14 H new ATOM 0 HB3 ARG A 20 7.410 4.561 7.418 1.00 64.14 H new ATOM 0 HG2 ARG A 20 8.171 5.216 5.194 1.00 33.01 H new ATOM 0 HG3 ARG A 20 6.838 4.366 4.437 1.00 33.01 H new ATOM 0 HD2 ARG A 20 5.229 5.835 5.611 1.00 13.15 H new ATOM 0 HD3 ARG A 20 6.558 6.681 6.379 1.00 13.15 H new ATOM 0 HE ARG A 20 7.021 6.851 3.600 1.00 55.21 H new ATOM 0 HH11 ARG A 20 4.609 7.882 5.979 1.00 12.30 H new ATOM 0 HH12 ARG A 20 4.116 9.298 5.043 1.00 12.30 H new ATOM 0 HH21 ARG A 20 6.379 8.685 2.410 1.00 62.23 H new ATOM 0 HH22 ARG A 20 5.113 9.748 3.035 1.00 62.23 H new ATOM 331 N ALA A 21 9.976 2.915 7.161 1.00 60.42 N ATOM 332 CA ALA A 21 11.415 3.046 7.004 1.00 13.44 C ATOM 333 C ALA A 21 12.026 1.742 6.503 1.00 63.00 C ATOM 334 O ALA A 21 13.172 1.708 6.056 1.00 52.51 O ATOM 335 CB ALA A 21 12.051 3.464 8.314 1.00 52.03 C ATOM 0 H ALA A 21 9.662 2.882 8.131 1.00 60.42 H new ATOM 0 HA ALA A 21 11.611 3.819 6.261 1.00 13.44 H new ATOM 0 HB1 ALA A 21 13.129 3.558 8.181 1.00 52.03 H new ATOM 0 HB2 ALA A 21 11.639 4.423 8.629 1.00 52.03 H new ATOM 0 HB3 ALA A 21 11.843 2.712 9.075 1.00 52.03 H new ATOM 341 N ASN A 22 11.252 0.668 6.578 1.00 53.43 N ATOM 342 CA ASN A 22 11.696 -0.626 6.110 1.00 5.14 C ATOM 343 C ASN A 22 11.153 -0.872 4.704 1.00 4.31 C ATOM 344 O ASN A 22 11.538 -1.806 4.046 1.00 25.41 O ATOM 345 CB ASN A 22 11.234 -1.737 7.084 1.00 61.24 C ATOM 346 CG ASN A 22 11.733 -3.149 6.742 1.00 5.04 C ATOM 347 OD1 ASN A 22 12.820 -3.340 6.152 1.00 54.23 O ATOM 348 ND2 ASN A 22 10.956 -4.142 7.124 1.00 62.24 N ATOM 0 H ASN A 22 10.307 0.674 6.963 1.00 53.43 H new ATOM 0 HA ASN A 22 12.785 -0.644 6.074 1.00 5.14 H new ATOM 0 HB2 ASN A 22 11.572 -1.482 8.089 1.00 61.24 H new ATOM 0 HB3 ASN A 22 10.144 -1.749 7.107 1.00 61.24 H new ATOM 0 HD21 ASN A 22 11.234 -5.106 6.941 1.00 62.24 H new ATOM 0 HD22 ASN A 22 10.077 -3.947 7.603 1.00 62.24 H new ATOM 355 N VAL A 23 10.264 -0.008 4.247 1.00 10.33 N ATOM 356 CA VAL A 23 9.704 -0.137 2.912 1.00 33.23 C ATOM 357 C VAL A 23 10.476 0.721 1.917 1.00 32.52 C ATOM 358 O VAL A 23 10.739 1.904 2.170 1.00 25.11 O ATOM 359 CB VAL A 23 8.200 0.246 2.871 1.00 23.43 C ATOM 360 CG1 VAL A 23 7.668 0.183 1.453 1.00 32.45 C ATOM 361 CG2 VAL A 23 7.388 -0.666 3.768 1.00 54.52 C ATOM 0 H VAL A 23 9.914 0.789 4.779 1.00 10.33 H new ATOM 0 HA VAL A 23 9.794 -1.187 2.633 1.00 33.23 H new ATOM 0 HB VAL A 23 8.106 1.269 3.235 1.00 23.43 H new ATOM 0 HG11 VAL A 23 6.613 0.455 1.448 1.00 32.45 H new ATOM 0 HG12 VAL A 23 8.225 0.878 0.824 1.00 32.45 H new ATOM 0 HG13 VAL A 23 7.784 -0.829 1.066 1.00 32.45 H new ATOM 0 HG21 VAL A 23 6.337 -0.379 3.723 1.00 54.52 H new ATOM 0 HG22 VAL A 23 7.497 -1.697 3.433 1.00 54.52 H new ATOM 0 HG23 VAL A 23 7.745 -0.579 4.794 1.00 54.52 H new ATOM 371 N LYS A 24 10.849 0.124 0.797 1.00 12.11 N ATOM 372 CA LYS A 24 11.567 0.836 -0.241 1.00 21.24 C ATOM 373 C LYS A 24 10.605 1.513 -1.193 1.00 3.23 C ATOM 374 O LYS A 24 10.850 2.622 -1.663 1.00 42.53 O ATOM 375 CB LYS A 24 12.452 -0.116 -1.072 1.00 3.44 C ATOM 376 CG LYS A 24 11.669 -1.210 -1.801 1.00 71.53 C ATOM 377 CD LYS A 24 12.433 -1.824 -2.946 1.00 61.03 C ATOM 378 CE LYS A 24 12.774 -0.773 -3.991 1.00 5.34 C ATOM 379 NZ LYS A 24 13.421 -1.365 -5.179 1.00 44.24 N ATOM 0 H LYS A 24 10.664 -0.857 0.585 1.00 12.11 H new ATOM 0 HA LYS A 24 12.190 1.575 0.263 1.00 21.24 H new ATOM 0 HB2 LYS A 24 13.009 0.468 -1.804 1.00 3.44 H new ATOM 0 HB3 LYS A 24 13.184 -0.584 -0.414 1.00 3.44 H new ATOM 0 HG2 LYS A 24 11.402 -1.992 -1.090 1.00 71.53 H new ATOM 0 HG3 LYS A 24 10.736 -0.790 -2.178 1.00 71.53 H new ATOM 0 HD2 LYS A 24 13.348 -2.284 -2.574 1.00 61.03 H new ATOM 0 HD3 LYS A 24 11.840 -2.617 -3.401 1.00 61.03 H new ATOM 0 HE2 LYS A 24 11.864 -0.254 -4.294 1.00 5.34 H new ATOM 0 HE3 LYS A 24 13.436 -0.026 -3.552 1.00 5.34 H new ATOM 0 HZ1 LYS A 24 13.637 -0.615 -5.867 1.00 44.24 H new ATOM 0 HZ2 LYS A 24 14.302 -1.838 -4.895 1.00 44.24 H new ATOM 0 HZ3 LYS A 24 12.780 -2.059 -5.614 1.00 44.24 H new ATOM 393 N HIS A 25 9.509 0.853 -1.457 1.00 14.12 N ATOM 394 CA HIS A 25 8.640 1.256 -2.516 1.00 43.01 C ATOM 395 C HIS A 25 7.245 0.732 -2.311 1.00 1.31 C ATOM 396 O HIS A 25 7.051 -0.462 -2.088 1.00 13.32 O ATOM 397 CB HIS A 25 9.234 0.697 -3.817 1.00 5.40 C ATOM 398 CG HIS A 25 8.453 0.922 -5.068 1.00 21.14 C ATOM 399 ND1 HIS A 25 7.849 2.113 -5.406 1.00 13.31 N ATOM 400 CD2 HIS A 25 8.176 0.068 -6.059 1.00 71.14 C ATOM 401 CE1 HIS A 25 7.230 1.968 -6.555 1.00 55.22 C ATOM 402 NE2 HIS A 25 7.411 0.738 -6.977 1.00 14.01 N ATOM 0 H HIS A 25 9.200 0.027 -0.945 1.00 14.12 H new ATOM 0 HA HIS A 25 8.566 2.343 -2.549 1.00 43.01 H new ATOM 0 HB2 HIS A 25 10.224 1.133 -3.952 1.00 5.40 H new ATOM 0 HB3 HIS A 25 9.373 -0.377 -3.692 1.00 5.40 H new ATOM 0 HD2 HIS A 25 8.497 -0.961 -6.124 1.00 71.14 H new ATOM 0 HE1 HIS A 25 6.666 2.733 -7.068 1.00 55.22 H new ATOM 0 HE2 HIS A 25 7.043 0.346 -7.844 1.00 14.01 H new ATOM 411 N LEU A 26 6.302 1.623 -2.391 1.00 32.42 N ATOM 412 CA LEU A 26 4.912 1.307 -2.310 1.00 53.42 C ATOM 413 C LEU A 26 4.344 1.328 -3.705 1.00 65.23 C ATOM 414 O LEU A 26 4.546 2.280 -4.461 1.00 0.32 O ATOM 415 CB LEU A 26 4.194 2.334 -1.446 1.00 72.32 C ATOM 416 CG LEU A 26 4.622 2.398 0.018 1.00 40.54 C ATOM 417 CD1 LEU A 26 3.932 3.537 0.724 1.00 1.20 C ATOM 418 CD2 LEU A 26 4.289 1.105 0.708 1.00 5.31 C ATOM 0 H LEU A 26 6.487 2.618 -2.518 1.00 32.42 H new ATOM 0 HA LEU A 26 4.777 0.323 -1.861 1.00 53.42 H new ATOM 0 HB2 LEU A 26 4.341 3.319 -1.890 1.00 72.32 H new ATOM 0 HB3 LEU A 26 3.125 2.125 -1.482 1.00 72.32 H new ATOM 0 HG LEU A 26 5.699 2.562 0.053 1.00 40.54 H new ATOM 0 HD11 LEU A 26 4.250 3.565 1.766 1.00 1.20 H new ATOM 0 HD12 LEU A 26 4.193 4.477 0.239 1.00 1.20 H new ATOM 0 HD13 LEU A 26 2.853 3.393 0.678 1.00 1.20 H new ATOM 0 HD21 LEU A 26 4.598 1.160 1.752 1.00 5.31 H new ATOM 0 HD22 LEU A 26 3.214 0.931 0.656 1.00 5.31 H new ATOM 0 HD23 LEU A 26 4.813 0.285 0.217 1.00 5.31 H new ATOM 430 N LYS A 27 3.669 0.300 -4.046 1.00 23.52 N ATOM 431 CA LYS A 27 3.091 0.150 -5.336 1.00 13.21 C ATOM 432 C LYS A 27 1.692 -0.374 -5.134 1.00 63.03 C ATOM 433 O LYS A 27 1.504 -1.552 -4.857 1.00 62.13 O ATOM 434 CB LYS A 27 3.948 -0.842 -6.122 1.00 63.31 C ATOM 435 CG LYS A 27 3.580 -1.032 -7.576 1.00 54.41 C ATOM 436 CD LYS A 27 4.546 -2.000 -8.259 1.00 64.41 C ATOM 437 CE LYS A 27 4.513 -3.396 -7.639 1.00 4.32 C ATOM 438 NZ LYS A 27 3.190 -4.042 -7.780 1.00 61.52 N ATOM 0 H LYS A 27 3.494 -0.488 -3.422 1.00 23.52 H new ATOM 0 HA LYS A 27 3.050 1.087 -5.891 1.00 13.21 H new ATOM 0 HB2 LYS A 27 4.986 -0.514 -6.071 1.00 63.31 H new ATOM 0 HB3 LYS A 27 3.895 -1.811 -5.625 1.00 63.31 H new ATOM 0 HG2 LYS A 27 2.562 -1.414 -7.651 1.00 54.41 H new ATOM 0 HG3 LYS A 27 3.598 -0.070 -8.089 1.00 54.41 H new ATOM 0 HD2 LYS A 27 4.296 -2.070 -9.318 1.00 64.41 H new ATOM 0 HD3 LYS A 27 5.559 -1.602 -8.196 1.00 64.41 H new ATOM 0 HE2 LYS A 27 5.271 -4.019 -8.113 1.00 4.32 H new ATOM 0 HE3 LYS A 27 4.771 -3.328 -6.582 1.00 4.32 H new ATOM 0 HZ1 LYS A 27 3.252 -5.032 -7.468 1.00 61.52 H new ATOM 0 HZ2 LYS A 27 2.493 -3.538 -7.195 1.00 61.52 H new ATOM 0 HZ3 LYS A 27 2.893 -4.011 -8.776 1.00 61.52 H new ATOM 452 N ILE A 28 0.726 0.492 -5.209 1.00 33.42 N ATOM 453 CA ILE A 28 -0.625 0.109 -4.891 1.00 33.04 C ATOM 454 C ILE A 28 -1.382 -0.320 -6.158 1.00 2.33 C ATOM 455 O ILE A 28 -1.321 0.344 -7.201 1.00 34.54 O ATOM 456 CB ILE A 28 -1.386 1.239 -4.148 1.00 2.41 C ATOM 457 CG1 ILE A 28 -0.528 1.763 -2.985 1.00 33.13 C ATOM 458 CG2 ILE A 28 -2.685 0.685 -3.599 1.00 43.44 C ATOM 459 CD1 ILE A 28 -1.196 2.826 -2.123 1.00 34.32 C ATOM 0 H ILE A 28 0.843 1.467 -5.486 1.00 33.42 H new ATOM 0 HA ILE A 28 -0.572 -0.744 -4.215 1.00 33.04 H new ATOM 0 HB ILE A 28 -1.593 2.054 -4.841 1.00 2.41 H new ATOM 0 HG12 ILE A 28 -0.251 0.922 -2.349 1.00 33.13 H new ATOM 0 HG13 ILE A 28 0.396 2.174 -3.391 1.00 33.13 H new ATOM 0 HG21 ILE A 28 -3.225 1.474 -3.076 1.00 43.44 H new ATOM 0 HG22 ILE A 28 -3.296 0.310 -4.420 1.00 43.44 H new ATOM 0 HG23 ILE A 28 -2.470 -0.128 -2.906 1.00 43.44 H new ATOM 0 HD11 ILE A 28 -0.514 3.133 -1.330 1.00 34.32 H new ATOM 0 HD12 ILE A 28 -1.448 3.689 -2.739 1.00 34.32 H new ATOM 0 HD13 ILE A 28 -2.105 2.418 -1.682 1.00 34.32 H new ATOM 471 N LEU A 29 -2.067 -1.429 -6.056 1.00 51.31 N ATOM 472 CA LEU A 29 -2.785 -2.027 -7.152 1.00 24.41 C ATOM 473 C LEU A 29 -4.285 -1.949 -6.846 1.00 2.23 C ATOM 474 O LEU A 29 -4.757 -2.573 -5.900 1.00 72.15 O ATOM 475 CB LEU A 29 -2.341 -3.505 -7.250 1.00 51.54 C ATOM 476 CG LEU A 29 -2.686 -4.318 -8.522 1.00 44.13 C ATOM 477 CD1 LEU A 29 -4.177 -4.416 -8.812 1.00 0.14 C ATOM 478 CD2 LEU A 29 -1.915 -3.817 -9.726 1.00 23.54 C ATOM 0 H LEU A 29 -2.143 -1.955 -5.186 1.00 51.31 H new ATOM 0 HA LEU A 29 -2.583 -1.514 -8.092 1.00 24.41 H new ATOM 0 HB2 LEU A 29 -1.258 -3.530 -7.129 1.00 51.54 H new ATOM 0 HB3 LEU A 29 -2.769 -4.033 -6.398 1.00 51.54 H new ATOM 0 HG LEU A 29 -2.366 -5.338 -8.311 1.00 44.13 H new ATOM 0 HD11 LEU A 29 -4.334 -5.001 -9.718 1.00 0.14 H new ATOM 0 HD12 LEU A 29 -4.679 -4.902 -7.975 1.00 0.14 H new ATOM 0 HD13 LEU A 29 -4.587 -3.416 -8.950 1.00 0.14 H new ATOM 0 HD21 LEU A 29 -2.181 -4.410 -10.601 1.00 23.54 H new ATOM 0 HD22 LEU A 29 -2.163 -2.771 -9.907 1.00 23.54 H new ATOM 0 HD23 LEU A 29 -0.845 -3.909 -9.537 1.00 23.54 H new ATOM 490 N ASN A 30 -5.022 -1.196 -7.617 1.00 52.43 N ATOM 491 CA ASN A 30 -6.464 -1.082 -7.387 1.00 20.02 C ATOM 492 C ASN A 30 -7.248 -2.144 -8.158 1.00 14.14 C ATOM 493 O ASN A 30 -7.147 -2.247 -9.371 1.00 10.22 O ATOM 494 CB ASN A 30 -6.990 0.355 -7.649 1.00 11.45 C ATOM 495 CG ASN A 30 -6.727 0.883 -9.050 1.00 14.33 C ATOM 496 OD1 ASN A 30 -5.690 1.492 -9.309 1.00 25.34 O ATOM 497 ND2 ASN A 30 -7.662 0.693 -9.943 1.00 25.44 N ATOM 0 H ASN A 30 -4.668 -0.653 -8.404 1.00 52.43 H new ATOM 0 HA ASN A 30 -6.633 -1.277 -6.328 1.00 20.02 H new ATOM 0 HB2 ASN A 30 -8.064 0.373 -7.464 1.00 11.45 H new ATOM 0 HB3 ASN A 30 -6.531 1.032 -6.928 1.00 11.45 H new ATOM 0 HD21 ASN A 30 -7.544 1.054 -10.890 1.00 25.44 H new ATOM 0 HD22 ASN A 30 -8.509 0.183 -9.693 1.00 25.44 H new ATOM 504 N THR A 31 -7.993 -2.964 -7.432 1.00 60.53 N ATOM 505 CA THR A 31 -8.780 -4.021 -8.034 1.00 55.21 C ATOM 506 C THR A 31 -10.289 -3.802 -7.753 1.00 61.53 C ATOM 507 O THR A 31 -10.672 -3.560 -6.612 1.00 72.00 O ATOM 508 CB THR A 31 -8.345 -5.398 -7.464 1.00 53.32 C ATOM 509 OG1 THR A 31 -6.936 -5.557 -7.632 1.00 21.12 O ATOM 510 CG2 THR A 31 -9.045 -6.547 -8.171 1.00 61.32 C ATOM 0 H THR A 31 -8.067 -2.914 -6.416 1.00 60.53 H new ATOM 0 HA THR A 31 -8.613 -4.003 -9.111 1.00 55.21 H new ATOM 0 HB THR A 31 -8.618 -5.420 -6.409 1.00 53.32 H new ATOM 0 HG1 THR A 31 -6.705 -6.508 -7.578 1.00 21.12 H new ATOM 0 HG21 THR A 31 -8.714 -7.493 -7.743 1.00 61.32 H new ATOM 0 HG22 THR A 31 -10.123 -6.449 -8.044 1.00 61.32 H new ATOM 0 HG23 THR A 31 -8.801 -6.524 -9.233 1.00 61.32 H new ATOM 518 N PRO A 32 -11.134 -3.913 -8.817 1.00 14.51 N ATOM 519 CA PRO A 32 -12.618 -3.752 -8.809 1.00 31.41 C ATOM 520 C PRO A 32 -13.375 -4.109 -7.533 1.00 63.02 C ATOM 521 O PRO A 32 -14.342 -3.434 -7.161 1.00 21.14 O ATOM 522 CB PRO A 32 -12.969 -4.806 -9.834 1.00 53.24 C ATOM 523 CG PRO A 32 -12.009 -4.540 -10.918 1.00 34.02 C ATOM 524 CD PRO A 32 -10.700 -4.214 -10.214 1.00 13.03 C ATOM 0 HA PRO A 32 -12.885 -2.707 -8.963 1.00 31.41 H new ATOM 0 HB2 PRO A 32 -12.857 -5.813 -9.433 1.00 53.24 H new ATOM 0 HB3 PRO A 32 -14.000 -4.711 -10.175 1.00 53.24 H new ATOM 0 HG2 PRO A 32 -11.901 -5.406 -11.571 1.00 34.02 H new ATOM 0 HG3 PRO A 32 -12.339 -3.710 -11.542 1.00 34.02 H new ATOM 0 HD2 PRO A 32 -10.004 -5.052 -10.248 1.00 13.03 H new ATOM 0 HD3 PRO A 32 -10.197 -3.363 -10.672 1.00 13.03 H new ATOM 532 N ASN A 33 -12.968 -5.164 -6.907 1.00 22.24 N ATOM 533 CA ASN A 33 -13.747 -5.763 -5.861 1.00 21.24 C ATOM 534 C ASN A 33 -12.880 -6.275 -4.732 1.00 31.13 C ATOM 535 O ASN A 33 -13.344 -7.003 -3.852 1.00 55.44 O ATOM 536 CB ASN A 33 -14.571 -6.889 -6.494 1.00 45.32 C ATOM 537 CG ASN A 33 -13.720 -7.985 -7.155 1.00 11.33 C ATOM 538 OD1 ASN A 33 -12.564 -7.778 -7.540 1.00 71.20 O ATOM 539 ND2 ASN A 33 -14.321 -9.091 -7.387 1.00 13.04 N ATOM 0 H ASN A 33 -12.087 -5.639 -7.102 1.00 22.24 H new ATOM 0 HA ASN A 33 -14.404 -5.018 -5.412 1.00 21.24 H new ATOM 0 HB2 ASN A 33 -15.199 -7.343 -5.727 1.00 45.32 H new ATOM 0 HB3 ASN A 33 -15.240 -6.461 -7.241 1.00 45.32 H new ATOM 0 HD21 ASN A 33 -13.845 -9.831 -7.903 1.00 13.04 H new ATOM 0 HD22 ASN A 33 -15.275 -9.232 -7.056 1.00 13.04 H new ATOM 546 N CYS A 34 -11.638 -5.883 -4.750 1.00 45.44 N ATOM 547 CA CYS A 34 -10.706 -6.237 -3.707 1.00 51.13 C ATOM 548 C CYS A 34 -10.010 -4.992 -3.223 1.00 31.54 C ATOM 549 O CYS A 34 -9.103 -5.053 -2.377 1.00 25.14 O ATOM 550 CB CYS A 34 -9.701 -7.269 -4.202 1.00 31.31 C ATOM 551 SG CYS A 34 -10.440 -8.883 -4.633 1.00 54.30 S ATOM 0 H CYS A 34 -11.237 -5.306 -5.490 1.00 45.44 H new ATOM 0 HA CYS A 34 -11.250 -6.688 -2.877 1.00 51.13 H new ATOM 0 HB2 CYS A 34 -9.189 -6.871 -5.078 1.00 31.31 H new ATOM 0 HB3 CYS A 34 -8.944 -7.422 -3.432 1.00 31.31 H new ATOM 556 N ALA A 35 -10.469 -3.848 -3.767 1.00 53.05 N ATOM 557 CA ALA A 35 -9.966 -2.532 -3.445 1.00 50.21 C ATOM 558 C ALA A 35 -8.512 -2.381 -3.838 1.00 42.32 C ATOM 559 O ALA A 35 -7.958 -3.200 -4.604 1.00 51.33 O ATOM 560 CB ALA A 35 -10.164 -2.250 -1.978 1.00 41.35 C ATOM 0 H ALA A 35 -11.219 -3.832 -4.458 1.00 53.05 H new ATOM 0 HA ALA A 35 -10.531 -1.800 -4.022 1.00 50.21 H new ATOM 0 HB1 ALA A 35 -9.782 -1.256 -1.744 1.00 41.35 H new ATOM 0 HB2 ALA A 35 -11.226 -2.296 -1.739 1.00 41.35 H new ATOM 0 HB3 ALA A 35 -9.627 -2.993 -1.389 1.00 41.35 H new ATOM 566 N LEU A 36 -7.904 -1.331 -3.370 1.00 34.13 N ATOM 567 CA LEU A 36 -6.537 -1.112 -3.628 1.00 10.41 C ATOM 568 C LEU A 36 -5.626 -1.854 -2.665 1.00 41.41 C ATOM 569 O LEU A 36 -5.665 -1.668 -1.455 1.00 43.43 O ATOM 570 CB LEU A 36 -6.201 0.380 -3.869 1.00 51.31 C ATOM 571 CG LEU A 36 -6.703 1.444 -2.878 1.00 54.11 C ATOM 572 CD1 LEU A 36 -6.047 1.337 -1.518 1.00 25.31 C ATOM 573 CD2 LEU A 36 -6.483 2.809 -3.471 1.00 22.13 C ATOM 0 H LEU A 36 -8.352 -0.612 -2.802 1.00 34.13 H new ATOM 0 HA LEU A 36 -6.313 -1.576 -4.588 1.00 10.41 H new ATOM 0 HB2 LEU A 36 -5.115 0.466 -3.917 1.00 51.31 H new ATOM 0 HB3 LEU A 36 -6.585 0.645 -4.854 1.00 51.31 H new ATOM 0 HG LEU A 36 -7.767 1.274 -2.714 1.00 54.11 H new ATOM 0 HD11 LEU A 36 -6.441 2.113 -0.862 1.00 25.31 H new ATOM 0 HD12 LEU A 36 -6.258 0.358 -1.089 1.00 25.31 H new ATOM 0 HD13 LEU A 36 -4.969 1.463 -1.623 1.00 25.31 H new ATOM 0 HD21 LEU A 36 -6.836 3.569 -2.775 1.00 22.13 H new ATOM 0 HD22 LEU A 36 -5.420 2.956 -3.660 1.00 22.13 H new ATOM 0 HD23 LEU A 36 -7.033 2.892 -4.408 1.00 22.13 H new ATOM 585 N GLN A 37 -4.853 -2.732 -3.227 1.00 54.14 N ATOM 586 CA GLN A 37 -3.948 -3.554 -2.500 1.00 11.23 C ATOM 587 C GLN A 37 -2.588 -2.972 -2.638 1.00 2.33 C ATOM 588 O GLN A 37 -2.150 -2.669 -3.731 1.00 2.13 O ATOM 589 CB GLN A 37 -4.012 -4.953 -3.067 1.00 24.05 C ATOM 590 CG GLN A 37 -5.349 -5.618 -2.813 1.00 2.44 C ATOM 591 CD GLN A 37 -5.813 -6.417 -3.980 1.00 41.11 C ATOM 592 OE1 GLN A 37 -5.512 -7.602 -4.116 1.00 11.44 O ATOM 593 NE2 GLN A 37 -6.569 -5.774 -4.825 1.00 72.11 N ATOM 0 H GLN A 37 -4.837 -2.898 -4.233 1.00 54.14 H new ATOM 0 HA GLN A 37 -4.204 -3.601 -1.442 1.00 11.23 H new ATOM 0 HB2 GLN A 37 -3.826 -4.916 -4.140 1.00 24.05 H new ATOM 0 HB3 GLN A 37 -3.219 -5.557 -2.626 1.00 24.05 H new ATOM 0 HG2 GLN A 37 -5.270 -6.266 -1.940 1.00 2.44 H new ATOM 0 HG3 GLN A 37 -6.092 -4.856 -2.578 1.00 2.44 H new ATOM 0 HE21 GLN A 37 -6.789 -4.791 -4.666 1.00 72.11 H new ATOM 0 HE22 GLN A 37 -6.940 -6.254 -5.645 1.00 72.11 H new ATOM 602 N ILE A 38 -1.925 -2.819 -1.565 1.00 74.51 N ATOM 603 CA ILE A 38 -0.677 -2.143 -1.574 1.00 24.33 C ATOM 604 C ILE A 38 0.435 -3.149 -1.588 1.00 13.24 C ATOM 605 O ILE A 38 0.443 -4.065 -0.804 1.00 32.44 O ATOM 606 CB ILE A 38 -0.560 -1.295 -0.313 1.00 3.24 C ATOM 607 CG1 ILE A 38 -1.741 -0.338 -0.211 1.00 13.33 C ATOM 608 CG2 ILE A 38 0.780 -0.540 -0.259 1.00 71.25 C ATOM 609 CD1 ILE A 38 -1.800 0.404 1.082 1.00 44.45 C ATOM 0 H ILE A 38 -2.224 -3.155 -0.650 1.00 74.51 H new ATOM 0 HA ILE A 38 -0.612 -1.509 -2.458 1.00 24.33 H new ATOM 0 HB ILE A 38 -0.582 -1.963 0.548 1.00 3.24 H new ATOM 0 HG12 ILE A 38 -1.688 0.380 -1.030 1.00 13.33 H new ATOM 0 HG13 ILE A 38 -2.666 -0.901 -0.340 1.00 13.33 H new ATOM 0 HG21 ILE A 38 0.827 0.054 0.654 1.00 71.25 H new ATOM 0 HG22 ILE A 38 1.602 -1.256 -0.269 1.00 71.25 H new ATOM 0 HG23 ILE A 38 0.862 0.118 -1.124 1.00 71.25 H new ATOM 0 HD11 ILE A 38 -2.666 1.066 1.083 1.00 44.45 H new ATOM 0 HD12 ILE A 38 -1.885 -0.305 1.905 1.00 44.45 H new ATOM 0 HD13 ILE A 38 -0.892 0.995 1.204 1.00 44.45 H new ATOM 621 N VAL A 39 1.326 -3.002 -2.501 1.00 60.15 N ATOM 622 CA VAL A 39 2.485 -3.850 -2.568 1.00 32.33 C ATOM 623 C VAL A 39 3.682 -3.044 -2.137 1.00 4.42 C ATOM 624 O VAL A 39 3.892 -1.940 -2.616 1.00 35.23 O ATOM 625 CB VAL A 39 2.699 -4.412 -4.003 1.00 62.40 C ATOM 626 CG1 VAL A 39 3.984 -5.212 -4.111 1.00 44.10 C ATOM 627 CG2 VAL A 39 1.506 -5.257 -4.439 1.00 74.32 C ATOM 0 H VAL A 39 1.282 -2.291 -3.231 1.00 60.15 H new ATOM 0 HA VAL A 39 2.344 -4.706 -1.908 1.00 32.33 H new ATOM 0 HB VAL A 39 2.785 -3.557 -4.674 1.00 62.40 H new ATOM 0 HG11 VAL A 39 4.095 -5.586 -5.129 1.00 44.10 H new ATOM 0 HG12 VAL A 39 4.832 -4.573 -3.865 1.00 44.10 H new ATOM 0 HG13 VAL A 39 3.949 -6.052 -3.417 1.00 44.10 H new ATOM 0 HG21 VAL A 39 1.679 -5.639 -5.445 1.00 74.32 H new ATOM 0 HG22 VAL A 39 1.381 -6.093 -3.750 1.00 74.32 H new ATOM 0 HG23 VAL A 39 0.605 -4.644 -4.433 1.00 74.32 H new ATOM 637 N ALA A 40 4.437 -3.570 -1.236 1.00 60.34 N ATOM 638 CA ALA A 40 5.582 -2.881 -0.730 1.00 22.11 C ATOM 639 C ALA A 40 6.702 -3.841 -0.553 1.00 71.35 C ATOM 640 O ALA A 40 6.511 -4.902 0.045 1.00 62.52 O ATOM 641 CB ALA A 40 5.248 -2.302 0.610 1.00 73.44 C ATOM 0 H ALA A 40 4.281 -4.491 -0.826 1.00 60.34 H new ATOM 0 HA ALA A 40 5.869 -2.095 -1.429 1.00 22.11 H new ATOM 0 HB1 ALA A 40 6.116 -1.774 1.005 1.00 73.44 H new ATOM 0 HB2 ALA A 40 4.415 -1.606 0.508 1.00 73.44 H new ATOM 0 HB3 ALA A 40 4.969 -3.104 1.294 1.00 73.44 H new ATOM 647 N ARG A 41 7.853 -3.539 -1.077 1.00 12.32 N ATOM 648 CA ARG A 41 8.930 -4.362 -0.822 1.00 40.02 C ATOM 649 C ARG A 41 9.784 -3.756 0.245 1.00 61.44 C ATOM 650 O ARG A 41 9.908 -2.525 0.337 1.00 32.12 O ATOM 651 CB ARG A 41 9.705 -4.625 -2.052 1.00 31.13 C ATOM 652 CG ARG A 41 10.116 -6.024 -2.062 1.00 64.45 C ATOM 653 CD ARG A 41 10.841 -6.432 -3.276 1.00 40.24 C ATOM 654 NE ARG A 41 10.126 -6.132 -4.521 1.00 72.32 N ATOM 655 CZ ARG A 41 10.304 -6.810 -5.668 1.00 22.13 C ATOM 656 NH1 ARG A 41 11.101 -7.881 -5.697 1.00 30.34 N ATOM 657 NH2 ARG A 41 9.674 -6.423 -6.771 1.00 73.15 N ATOM 0 H ARG A 41 8.040 -2.732 -1.673 1.00 12.32 H new ATOM 0 HA ARG A 41 8.562 -5.325 -0.467 1.00 40.02 H new ATOM 0 HB2 ARG A 41 9.102 -4.403 -2.932 1.00 31.13 H new ATOM 0 HB3 ARG A 41 10.579 -3.975 -2.093 1.00 31.13 H new ATOM 0 HG2 ARG A 41 10.749 -6.211 -1.194 1.00 64.45 H new ATOM 0 HG3 ARG A 41 9.231 -6.652 -1.953 1.00 64.45 H new ATOM 0 HD2 ARG A 41 11.810 -5.932 -3.295 1.00 40.24 H new ATOM 0 HD3 ARG A 41 11.036 -7.503 -3.229 1.00 40.24 H new ATOM 0 HE ARG A 41 9.455 -5.364 -4.516 1.00 72.32 H new ATOM 0 HH11 ARG A 41 11.576 -8.186 -4.848 1.00 30.34 H new ATOM 0 HH12 ARG A 41 11.235 -8.394 -6.568 1.00 30.34 H new ATOM 0 HH21 ARG A 41 9.056 -5.612 -6.747 1.00 73.15 H new ATOM 0 HH22 ARG A 41 9.808 -6.937 -7.642 1.00 73.15 H new ATOM 671 N LEU A 42 10.343 -4.589 1.059 1.00 21.43 N ATOM 672 CA LEU A 42 11.138 -4.135 2.152 1.00 3.42 C ATOM 673 C LEU A 42 12.563 -3.908 1.714 1.00 63.42 C ATOM 674 O LEU A 42 13.071 -4.575 0.811 1.00 42.45 O ATOM 675 CB LEU A 42 11.094 -5.130 3.310 1.00 75.50 C ATOM 676 CG LEU A 42 9.679 -5.568 3.737 1.00 15.24 C ATOM 677 CD1 LEU A 42 9.731 -6.590 4.853 1.00 64.33 C ATOM 678 CD2 LEU A 42 8.841 -4.364 4.148 1.00 70.45 C ATOM 0 H LEU A 42 10.262 -5.603 0.986 1.00 21.43 H new ATOM 0 HA LEU A 42 10.724 -3.188 2.498 1.00 3.42 H new ATOM 0 HB2 LEU A 42 11.664 -6.016 3.030 1.00 75.50 H new ATOM 0 HB3 LEU A 42 11.596 -4.687 4.170 1.00 75.50 H new ATOM 0 HG LEU A 42 9.205 -6.039 2.876 1.00 15.24 H new ATOM 0 HD11 LEU A 42 8.717 -6.878 5.130 1.00 64.33 H new ATOM 0 HD12 LEU A 42 10.278 -7.470 4.515 1.00 64.33 H new ATOM 0 HD13 LEU A 42 10.235 -6.159 5.718 1.00 64.33 H new ATOM 0 HD21 LEU A 42 7.847 -4.697 4.445 1.00 70.45 H new ATOM 0 HD22 LEU A 42 9.319 -3.857 4.986 1.00 70.45 H new ATOM 0 HD23 LEU A 42 8.757 -3.675 3.307 1.00 70.45 H new ATOM 690 N LYS A 43 13.179 -2.974 2.352 1.00 23.02 N ATOM 691 CA LYS A 43 14.538 -2.593 2.105 1.00 54.34 C ATOM 692 C LYS A 43 15.480 -3.609 2.719 1.00 11.24 C ATOM 693 O LYS A 43 16.212 -4.314 2.023 1.00 24.31 O ATOM 694 CB LYS A 43 14.784 -1.232 2.762 1.00 41.34 C ATOM 695 CG LYS A 43 13.924 -0.115 2.209 1.00 4.23 C ATOM 696 CD LYS A 43 13.982 1.139 3.071 1.00 74.54 C ATOM 697 CE LYS A 43 15.378 1.690 3.200 1.00 14.23 C ATOM 698 NZ LYS A 43 15.423 2.855 4.107 1.00 14.30 N ATOM 0 H LYS A 43 12.737 -2.429 3.092 1.00 23.02 H new ATOM 0 HA LYS A 43 14.715 -2.542 1.031 1.00 54.34 H new ATOM 0 HB2 LYS A 43 14.603 -1.319 3.833 1.00 41.34 H new ATOM 0 HB3 LYS A 43 15.833 -0.964 2.637 1.00 41.34 H new ATOM 0 HG2 LYS A 43 14.252 0.126 1.198 1.00 4.23 H new ATOM 0 HG3 LYS A 43 12.891 -0.456 2.137 1.00 4.23 H new ATOM 0 HD2 LYS A 43 13.333 1.902 2.640 1.00 74.54 H new ATOM 0 HD3 LYS A 43 13.592 0.912 4.063 1.00 74.54 H new ATOM 0 HE2 LYS A 43 16.043 0.912 3.574 1.00 14.23 H new ATOM 0 HE3 LYS A 43 15.747 1.980 2.216 1.00 14.23 H new ATOM 0 HZ1 LYS A 43 16.379 2.948 4.506 1.00 14.30 H new ATOM 0 HZ2 LYS A 43 15.184 3.717 3.577 1.00 14.30 H new ATOM 0 HZ3 LYS A 43 14.738 2.722 4.878 1.00 14.30 H new ATOM 712 N ASN A 44 15.423 -3.708 4.033 1.00 3.13 N ATOM 713 CA ASN A 44 16.373 -4.530 4.768 1.00 14.52 C ATOM 714 C ASN A 44 15.989 -5.986 4.744 1.00 33.43 C ATOM 715 O ASN A 44 16.837 -6.863 4.613 1.00 52.53 O ATOM 716 CB ASN A 44 16.494 -4.056 6.215 1.00 3.12 C ATOM 717 CG ASN A 44 17.505 -4.870 7.012 1.00 52.23 C ATOM 718 OD1 ASN A 44 17.172 -5.891 7.594 1.00 63.44 O ATOM 719 ND2 ASN A 44 18.721 -4.418 7.057 1.00 12.33 N ATOM 0 H ASN A 44 14.733 -3.233 4.614 1.00 3.13 H new ATOM 0 HA ASN A 44 17.338 -4.423 4.272 1.00 14.52 H new ATOM 0 HB2 ASN A 44 16.787 -3.006 6.227 1.00 3.12 H new ATOM 0 HB3 ASN A 44 15.519 -4.120 6.698 1.00 3.12 H new ATOM 0 HD21 ASN A 44 19.432 -4.919 7.590 1.00 12.33 H new ATOM 0 HD22 ASN A 44 18.966 -3.562 6.559 1.00 12.33 H new ATOM 726 N ASN A 45 14.707 -6.246 4.843 1.00 53.21 N ATOM 727 CA ASN A 45 14.236 -7.620 4.927 1.00 71.13 C ATOM 728 C ASN A 45 13.970 -8.171 3.521 1.00 24.45 C ATOM 729 O ASN A 45 13.813 -9.367 3.334 1.00 21.13 O ATOM 730 CB ASN A 45 12.988 -7.689 5.828 1.00 2.34 C ATOM 731 CG ASN A 45 12.580 -9.109 6.221 1.00 11.21 C ATOM 732 OD1 ASN A 45 13.411 -10.004 6.328 1.00 53.33 O ATOM 733 ND2 ASN A 45 11.307 -9.320 6.449 1.00 71.31 N ATOM 0 H ASN A 45 13.974 -5.538 4.868 1.00 53.21 H new ATOM 0 HA ASN A 45 15.003 -8.248 5.380 1.00 71.13 H new ATOM 0 HB2 ASN A 45 13.175 -7.112 6.734 1.00 2.34 H new ATOM 0 HB3 ASN A 45 12.154 -7.212 5.313 1.00 2.34 H new ATOM 0 HD21 ASN A 45 10.985 -10.248 6.723 1.00 71.31 H new ATOM 0 HD22 ASN A 45 10.638 -8.556 6.352 1.00 71.31 H new ATOM 740 N ASN A 46 13.898 -7.250 2.536 1.00 73.01 N ATOM 741 CA ASN A 46 13.781 -7.568 1.073 1.00 0.43 C ATOM 742 C ASN A 46 12.448 -8.258 0.674 1.00 10.32 C ATOM 743 O ASN A 46 12.135 -8.384 -0.513 1.00 32.14 O ATOM 744 CB ASN A 46 15.022 -8.376 0.614 1.00 1.42 C ATOM 745 CG ASN A 46 15.071 -8.693 -0.868 1.00 33.34 C ATOM 746 OD1 ASN A 46 15.581 -7.905 -1.668 1.00 53.30 O ATOM 747 ND2 ASN A 46 14.592 -9.851 -1.244 1.00 32.43 N ATOM 0 H ASN A 46 13.919 -6.248 2.724 1.00 73.01 H new ATOM 0 HA ASN A 46 13.756 -6.617 0.541 1.00 0.43 H new ATOM 0 HB2 ASN A 46 15.919 -7.817 0.880 1.00 1.42 H new ATOM 0 HB3 ASN A 46 15.053 -9.312 1.171 1.00 1.42 H new ATOM 0 HD21 ASN A 46 14.634 -10.126 -2.225 1.00 32.43 H new ATOM 0 HD22 ASN A 46 14.177 -10.479 -0.556 1.00 32.43 H new ATOM 754 N ARG A 47 11.666 -8.670 1.663 1.00 21.23 N ATOM 755 CA ARG A 47 10.396 -9.341 1.432 1.00 25.42 C ATOM 756 C ARG A 47 9.452 -8.432 0.696 1.00 65.12 C ATOM 757 O ARG A 47 9.439 -7.219 0.935 1.00 53.33 O ATOM 758 CB ARG A 47 9.728 -9.697 2.757 1.00 43.33 C ATOM 759 CG ARG A 47 10.553 -10.506 3.727 1.00 15.54 C ATOM 760 CD ARG A 47 10.996 -11.810 3.152 1.00 3.14 C ATOM 761 NE ARG A 47 11.661 -12.646 4.162 1.00 54.11 N ATOM 762 CZ ARG A 47 12.748 -13.404 3.961 1.00 32.14 C ATOM 763 NH1 ARG A 47 13.363 -13.402 2.783 1.00 4.34 N ATOM 764 NH2 ARG A 47 13.207 -14.165 4.944 1.00 12.51 N ATOM 0 H ARG A 47 11.896 -8.548 2.649 1.00 21.23 H new ATOM 0 HA ARG A 47 10.604 -10.240 0.852 1.00 25.42 H new ATOM 0 HB2 ARG A 47 9.431 -8.771 3.250 1.00 43.33 H new ATOM 0 HB3 ARG A 47 8.814 -10.250 2.541 1.00 43.33 H new ATOM 0 HG2 ARG A 47 11.428 -9.928 4.025 1.00 15.54 H new ATOM 0 HG3 ARG A 47 9.970 -10.690 4.629 1.00 15.54 H new ATOM 0 HD2 ARG A 47 10.135 -12.342 2.748 1.00 3.14 H new ATOM 0 HD3 ARG A 47 11.678 -11.630 2.321 1.00 3.14 H new ATOM 0 HE ARG A 47 11.259 -12.650 5.100 1.00 54.11 H new ATOM 0 HH11 ARG A 47 13.008 -12.821 2.024 1.00 4.34 H new ATOM 0 HH12 ARG A 47 14.190 -13.982 2.638 1.00 4.34 H new ATOM 0 HH21 ARG A 47 12.734 -14.172 5.847 1.00 12.51 H new ATOM 0 HH22 ARG A 47 14.034 -14.744 4.797 1.00 12.51 H new ATOM 778 N GLN A 48 8.682 -8.982 -0.192 1.00 23.14 N ATOM 779 CA GLN A 48 7.700 -8.214 -0.849 1.00 73.44 C ATOM 780 C GLN A 48 6.400 -8.519 -0.145 1.00 54.20 C ATOM 781 O GLN A 48 5.975 -9.674 -0.097 1.00 41.34 O ATOM 782 CB GLN A 48 7.613 -8.592 -2.318 1.00 14.15 C ATOM 783 CG GLN A 48 6.906 -7.551 -3.129 1.00 71.24 C ATOM 784 CD GLN A 48 6.554 -7.996 -4.520 1.00 34.04 C ATOM 785 OE1 GLN A 48 7.323 -7.831 -5.448 1.00 21.31 O ATOM 786 NE2 GLN A 48 5.384 -8.546 -4.679 1.00 62.35 N ATOM 0 H GLN A 48 8.724 -9.962 -0.471 1.00 23.14 H new ATOM 0 HA GLN A 48 7.937 -7.151 -0.812 1.00 73.44 H new ATOM 0 HB2 GLN A 48 8.618 -8.738 -2.714 1.00 14.15 H new ATOM 0 HB3 GLN A 48 7.090 -9.543 -2.416 1.00 14.15 H new ATOM 0 HG2 GLN A 48 5.993 -7.259 -2.610 1.00 71.24 H new ATOM 0 HG3 GLN A 48 7.536 -6.663 -3.191 1.00 71.24 H new ATOM 0 HE21 GLN A 48 4.765 -8.669 -3.878 1.00 62.35 H new ATOM 0 HE22 GLN A 48 5.087 -8.854 -5.605 1.00 62.35 H new ATOM 795 N VAL A 49 5.785 -7.522 0.415 1.00 15.42 N ATOM 796 CA VAL A 49 4.601 -7.740 1.209 1.00 25.23 C ATOM 797 C VAL A 49 3.436 -6.972 0.641 1.00 63.21 C ATOM 798 O VAL A 49 3.575 -6.250 -0.367 1.00 33.24 O ATOM 799 CB VAL A 49 4.827 -7.314 2.702 1.00 20.53 C ATOM 800 CG1 VAL A 49 6.059 -7.988 3.265 1.00 42.32 C ATOM 801 CG2 VAL A 49 4.924 -5.795 2.864 1.00 13.34 C ATOM 0 H VAL A 49 6.078 -6.548 0.341 1.00 15.42 H new ATOM 0 HA VAL A 49 4.382 -8.807 1.182 1.00 25.23 H new ATOM 0 HB VAL A 49 3.954 -7.642 3.266 1.00 20.53 H new ATOM 0 HG11 VAL A 49 6.200 -7.681 4.301 1.00 42.32 H new ATOM 0 HG12 VAL A 49 5.934 -9.070 3.221 1.00 42.32 H new ATOM 0 HG13 VAL A 49 6.932 -7.699 2.679 1.00 42.32 H new ATOM 0 HG21 VAL A 49 5.080 -5.550 3.915 1.00 13.34 H new ATOM 0 HG22 VAL A 49 5.761 -5.419 2.275 1.00 13.34 H new ATOM 0 HG23 VAL A 49 4.000 -5.332 2.517 1.00 13.34 H new ATOM 811 N CYS A 50 2.306 -7.137 1.253 1.00 13.23 N ATOM 812 CA CYS A 50 1.148 -6.397 0.896 1.00 2.23 C ATOM 813 C CYS A 50 0.774 -5.550 2.069 1.00 22.22 C ATOM 814 O CYS A 50 0.864 -5.995 3.208 1.00 71.51 O ATOM 815 CB CYS A 50 0.006 -7.316 0.509 1.00 41.34 C ATOM 816 SG CYS A 50 0.435 -8.468 -0.850 1.00 44.14 S ATOM 0 H CYS A 50 2.165 -7.795 2.019 1.00 13.23 H new ATOM 0 HA CYS A 50 1.357 -5.773 0.027 1.00 2.23 H new ATOM 0 HB2 CYS A 50 -0.300 -7.892 1.382 1.00 41.34 H new ATOM 0 HB3 CYS A 50 -0.851 -6.713 0.209 1.00 41.34 H new ATOM 821 N ILE A 51 0.403 -4.350 1.817 1.00 3.33 N ATOM 822 CA ILE A 51 0.087 -3.451 2.859 1.00 73.53 C ATOM 823 C ILE A 51 -1.381 -3.131 2.884 1.00 24.23 C ATOM 824 O ILE A 51 -2.039 -3.029 1.838 1.00 25.11 O ATOM 825 CB ILE A 51 0.941 -2.163 2.808 1.00 34.51 C ATOM 826 CG1 ILE A 51 2.413 -2.528 2.869 1.00 10.03 C ATOM 827 CG2 ILE A 51 0.587 -1.225 3.934 1.00 21.44 C ATOM 828 CD1 ILE A 51 3.334 -1.349 3.141 1.00 70.40 C ATOM 0 H ILE A 51 0.310 -3.963 0.878 1.00 3.33 H new ATOM 0 HA ILE A 51 0.335 -3.957 3.792 1.00 73.53 H new ATOM 0 HB ILE A 51 0.732 -1.647 1.871 1.00 34.51 H new ATOM 0 HG12 ILE A 51 2.559 -3.276 3.648 1.00 10.03 H new ATOM 0 HG13 ILE A 51 2.701 -2.990 1.925 1.00 10.03 H new ATOM 0 HG21 ILE A 51 1.205 -0.330 3.870 1.00 21.44 H new ATOM 0 HG22 ILE A 51 -0.464 -0.947 3.859 1.00 21.44 H new ATOM 0 HG23 ILE A 51 0.764 -1.720 4.889 1.00 21.44 H new ATOM 0 HD11 ILE A 51 4.368 -1.694 3.169 1.00 70.40 H new ATOM 0 HD12 ILE A 51 3.220 -0.608 2.350 1.00 70.40 H new ATOM 0 HD13 ILE A 51 3.075 -0.899 4.099 1.00 70.40 H new ATOM 840 N ASP A 52 -1.882 -3.037 4.074 1.00 2.41 N ATOM 841 CA ASP A 52 -3.243 -2.707 4.343 1.00 60.33 C ATOM 842 C ASP A 52 -3.517 -1.227 4.097 1.00 11.52 C ATOM 843 O ASP A 52 -2.803 -0.356 4.604 1.00 2.34 O ATOM 844 CB ASP A 52 -3.536 -3.077 5.758 1.00 63.22 C ATOM 845 CG ASP A 52 -4.890 -2.648 6.217 1.00 11.24 C ATOM 846 OD1 ASP A 52 -5.861 -3.400 6.033 1.00 72.52 O ATOM 847 OD2 ASP A 52 -4.994 -1.570 6.792 1.00 53.34 O ATOM 0 H ASP A 52 -1.331 -3.195 4.918 1.00 2.41 H new ATOM 0 HA ASP A 52 -3.895 -3.261 3.668 1.00 60.33 H new ATOM 0 HB2 ASP A 52 -3.449 -4.158 5.868 1.00 63.22 H new ATOM 0 HB3 ASP A 52 -2.783 -2.629 6.406 1.00 63.22 H new ATOM 852 N PRO A 53 -4.567 -0.932 3.328 1.00 61.15 N ATOM 853 CA PRO A 53 -4.915 0.434 2.939 1.00 65.25 C ATOM 854 C PRO A 53 -5.470 1.314 4.070 1.00 1.43 C ATOM 855 O PRO A 53 -5.629 2.522 3.886 1.00 73.33 O ATOM 856 CB PRO A 53 -5.966 0.239 1.848 1.00 24.42 C ATOM 857 CG PRO A 53 -6.569 -1.094 2.124 1.00 14.53 C ATOM 858 CD PRO A 53 -5.494 -1.926 2.743 1.00 70.24 C ATOM 0 HA PRO A 53 -4.022 0.973 2.622 1.00 65.25 H new ATOM 0 HB2 PRO A 53 -6.719 1.027 1.881 1.00 24.42 H new ATOM 0 HB3 PRO A 53 -5.515 0.270 0.856 1.00 24.42 H new ATOM 0 HG2 PRO A 53 -7.423 -1.002 2.795 1.00 14.53 H new ATOM 0 HG3 PRO A 53 -6.934 -1.553 1.205 1.00 14.53 H new ATOM 0 HD2 PRO A 53 -5.895 -2.595 3.504 1.00 70.24 H new ATOM 0 HD3 PRO A 53 -4.995 -2.550 2.002 1.00 70.24 H new ATOM 866 N LYS A 54 -5.758 0.742 5.231 1.00 11.12 N ATOM 867 CA LYS A 54 -6.294 1.549 6.306 1.00 33.52 C ATOM 868 C LYS A 54 -5.257 1.816 7.380 1.00 53.12 C ATOM 869 O LYS A 54 -5.570 2.380 8.429 1.00 41.24 O ATOM 870 CB LYS A 54 -7.660 1.009 6.852 1.00 35.22 C ATOM 871 CG LYS A 54 -7.683 -0.399 7.435 1.00 52.31 C ATOM 872 CD LYS A 54 -7.129 -0.463 8.854 1.00 23.41 C ATOM 873 CE LYS A 54 -8.040 0.240 9.858 1.00 42.11 C ATOM 874 NZ LYS A 54 -7.537 0.117 11.247 1.00 61.51 N ATOM 0 H LYS A 54 -5.633 -0.247 5.445 1.00 11.12 H new ATOM 0 HA LYS A 54 -6.539 2.524 5.885 1.00 33.52 H new ATOM 0 HB2 LYS A 54 -8.009 1.697 7.622 1.00 35.22 H new ATOM 0 HB3 LYS A 54 -8.385 1.047 6.039 1.00 35.22 H new ATOM 0 HG2 LYS A 54 -8.708 -0.771 7.433 1.00 52.31 H new ATOM 0 HG3 LYS A 54 -7.102 -1.062 6.793 1.00 52.31 H new ATOM 0 HD2 LYS A 54 -7.003 -1.505 9.147 1.00 23.41 H new ATOM 0 HD3 LYS A 54 -6.141 -0.004 8.878 1.00 23.41 H new ATOM 0 HE2 LYS A 54 -8.123 1.294 9.595 1.00 42.11 H new ATOM 0 HE3 LYS A 54 -9.042 -0.184 9.797 1.00 42.11 H new ATOM 0 HZ1 LYS A 54 -8.185 0.608 11.896 1.00 61.51 H new ATOM 0 HZ2 LYS A 54 -7.481 -0.888 11.508 1.00 61.51 H new ATOM 0 HZ3 LYS A 54 -6.591 0.545 11.313 1.00 61.51 H new ATOM 888 N LEU A 55 -4.009 1.423 7.103 1.00 41.40 N ATOM 889 CA LEU A 55 -2.899 1.704 7.995 1.00 43.13 C ATOM 890 C LEU A 55 -2.743 3.169 8.298 1.00 25.53 C ATOM 891 O LEU A 55 -2.917 4.036 7.430 1.00 62.10 O ATOM 892 CB LEU A 55 -1.575 1.150 7.483 1.00 2.50 C ATOM 893 CG LEU A 55 -1.251 -0.297 7.816 1.00 64.54 C ATOM 894 CD1 LEU A 55 0.060 -0.682 7.191 1.00 2.13 C ATOM 895 CD2 LEU A 55 -1.135 -0.458 9.307 1.00 32.24 C ATOM 0 H LEU A 55 -3.750 0.907 6.262 1.00 41.40 H new ATOM 0 HA LEU A 55 -3.156 1.189 8.921 1.00 43.13 H new ATOM 0 HB2 LEU A 55 -1.561 1.258 6.398 1.00 2.50 H new ATOM 0 HB3 LEU A 55 -0.773 1.775 7.876 1.00 2.50 H new ATOM 0 HG LEU A 55 -2.047 -0.934 7.431 1.00 64.54 H new ATOM 0 HD11 LEU A 55 0.287 -1.720 7.433 1.00 2.13 H new ATOM 0 HD12 LEU A 55 -0.005 -0.567 6.109 1.00 2.13 H new ATOM 0 HD13 LEU A 55 0.850 -0.038 7.577 1.00 2.13 H new ATOM 0 HD21 LEU A 55 -0.903 -1.496 9.544 1.00 32.24 H new ATOM 0 HD22 LEU A 55 -0.340 0.186 9.682 1.00 32.24 H new ATOM 0 HD23 LEU A 55 -2.078 -0.181 9.777 1.00 32.24 H new ATOM 907 N LYS A 56 -2.383 3.415 9.531 1.00 55.55 N ATOM 908 CA LYS A 56 -2.182 4.738 10.087 1.00 53.14 C ATOM 909 C LYS A 56 -1.225 5.559 9.231 1.00 35.41 C ATOM 910 O LYS A 56 -1.537 6.673 8.830 1.00 33.05 O ATOM 911 CB LYS A 56 -1.584 4.565 11.476 1.00 14.14 C ATOM 912 CG LYS A 56 -1.265 5.844 12.215 1.00 11.24 C ATOM 913 CD LYS A 56 -0.561 5.522 13.514 1.00 54.53 C ATOM 914 CE LYS A 56 -0.210 6.767 14.288 1.00 41.43 C ATOM 915 NZ LYS A 56 0.524 6.441 15.527 1.00 13.33 N ATOM 0 H LYS A 56 -2.213 2.671 10.208 1.00 55.55 H new ATOM 0 HA LYS A 56 -3.135 5.265 10.122 1.00 53.14 H new ATOM 0 HB2 LYS A 56 -2.278 3.981 12.080 1.00 14.14 H new ATOM 0 HB3 LYS A 56 -0.669 3.980 11.387 1.00 14.14 H new ATOM 0 HG2 LYS A 56 -0.634 6.484 11.598 1.00 11.24 H new ATOM 0 HG3 LYS A 56 -2.182 6.398 12.415 1.00 11.24 H new ATOM 0 HD2 LYS A 56 -1.200 4.883 14.124 1.00 54.53 H new ATOM 0 HD3 LYS A 56 0.347 4.957 13.304 1.00 54.53 H new ATOM 0 HE2 LYS A 56 0.397 7.425 13.666 1.00 41.43 H new ATOM 0 HE3 LYS A 56 -1.121 7.313 14.535 1.00 41.43 H new ATOM 0 HZ1 LYS A 56 0.751 7.318 16.037 1.00 13.33 H new ATOM 0 HZ2 LYS A 56 -0.066 5.833 16.130 1.00 13.33 H new ATOM 0 HZ3 LYS A 56 1.405 5.942 15.288 1.00 13.33 H new ATOM 929 N TRP A 57 -0.079 4.982 8.909 1.00 51.44 N ATOM 930 CA TRP A 57 0.908 5.718 8.164 1.00 25.03 C ATOM 931 C TRP A 57 0.621 5.681 6.668 1.00 0.22 C ATOM 932 O TRP A 57 1.147 6.488 5.908 1.00 10.44 O ATOM 933 CB TRP A 57 2.343 5.266 8.491 1.00 33.12 C ATOM 934 CG TRP A 57 2.697 3.869 8.074 1.00 1.41 C ATOM 935 CD1 TRP A 57 2.619 2.728 8.818 1.00 33.24 C ATOM 936 CD2 TRP A 57 3.211 3.483 6.809 1.00 44.11 C ATOM 937 NE1 TRP A 57 3.066 1.662 8.082 1.00 31.42 N ATOM 938 CE2 TRP A 57 3.433 2.102 6.843 1.00 72.54 C ATOM 939 CE3 TRP A 57 3.504 4.185 5.650 1.00 11.43 C ATOM 940 CZ2 TRP A 57 3.942 1.407 5.754 1.00 72.31 C ATOM 941 CZ3 TRP A 57 4.003 3.509 4.576 1.00 44.14 C ATOM 942 CH2 TRP A 57 4.220 2.135 4.628 1.00 34.34 C ATOM 0 H TRP A 57 0.181 4.025 9.149 1.00 51.44 H new ATOM 0 HA TRP A 57 0.835 6.759 8.480 1.00 25.03 H new ATOM 0 HB2 TRP A 57 3.039 5.955 8.013 1.00 33.12 H new ATOM 0 HB3 TRP A 57 2.496 5.354 9.567 1.00 33.12 H new ATOM 0 HD1 TRP A 57 2.259 2.673 9.835 1.00 33.24 H new ATOM 0 HE1 TRP A 57 3.116 0.697 8.407 1.00 31.42 H new ATOM 0 HE3 TRP A 57 3.340 5.251 5.599 1.00 11.43 H new ATOM 0 HZ2 TRP A 57 4.111 0.341 5.793 1.00 72.31 H new ATOM 0 HZ3 TRP A 57 4.234 4.049 3.670 1.00 44.14 H new ATOM 0 HH2 TRP A 57 4.617 1.631 3.759 1.00 34.34 H new ATOM 953 N ILE A 58 -0.221 4.757 6.250 1.00 3.14 N ATOM 954 CA ILE A 58 -0.614 4.686 4.857 1.00 32.03 C ATOM 955 C ILE A 58 -1.567 5.828 4.545 1.00 24.12 C ATOM 956 O ILE A 58 -1.524 6.411 3.461 1.00 73.14 O ATOM 957 CB ILE A 58 -1.205 3.300 4.466 1.00 0.52 C ATOM 958 CG1 ILE A 58 -0.104 2.228 4.487 1.00 40.23 C ATOM 959 CG2 ILE A 58 -1.842 3.348 3.098 1.00 73.32 C ATOM 960 CD1 ILE A 58 0.991 2.461 3.458 1.00 52.41 C ATOM 0 H ILE A 58 -0.644 4.049 6.850 1.00 3.14 H new ATOM 0 HA ILE A 58 0.280 4.795 4.243 1.00 32.03 H new ATOM 0 HB ILE A 58 -1.973 3.044 5.196 1.00 0.52 H new ATOM 0 HG12 ILE A 58 0.343 2.197 5.481 1.00 40.23 H new ATOM 0 HG13 ILE A 58 -0.555 1.252 4.310 1.00 40.23 H new ATOM 0 HG21 ILE A 58 -2.247 2.367 2.850 1.00 73.32 H new ATOM 0 HG22 ILE A 58 -2.647 4.083 3.097 1.00 73.32 H new ATOM 0 HG23 ILE A 58 -1.093 3.629 2.358 1.00 73.32 H new ATOM 0 HD11 ILE A 58 1.733 1.666 3.530 1.00 52.41 H new ATOM 0 HD12 ILE A 58 0.557 2.462 2.458 1.00 52.41 H new ATOM 0 HD13 ILE A 58 1.469 3.422 3.647 1.00 52.41 H new ATOM 972 N GLN A 59 -2.406 6.166 5.510 1.00 4.23 N ATOM 973 CA GLN A 59 -3.244 7.334 5.384 1.00 5.23 C ATOM 974 C GLN A 59 -2.383 8.567 5.263 1.00 31.44 C ATOM 975 O GLN A 59 -2.600 9.384 4.391 1.00 12.32 O ATOM 976 CB GLN A 59 -4.231 7.454 6.538 1.00 22.13 C ATOM 977 CG GLN A 59 -5.334 6.414 6.504 1.00 0.13 C ATOM 978 CD GLN A 59 -6.153 6.518 5.231 1.00 4.11 C ATOM 979 OE1 GLN A 59 -7.136 7.258 5.174 1.00 4.11 O ATOM 980 NE2 GLN A 59 -5.778 5.767 4.220 1.00 40.42 N ATOM 0 H GLN A 59 -2.521 5.649 6.382 1.00 4.23 H new ATOM 0 HA GLN A 59 -3.841 7.231 4.478 1.00 5.23 H new ATOM 0 HB2 GLN A 59 -3.689 7.366 7.479 1.00 22.13 H new ATOM 0 HB3 GLN A 59 -4.679 8.447 6.520 1.00 22.13 H new ATOM 0 HG2 GLN A 59 -4.899 5.417 6.578 1.00 0.13 H new ATOM 0 HG3 GLN A 59 -5.985 6.543 7.369 1.00 0.13 H new ATOM 0 HE21 GLN A 59 -4.958 5.167 4.307 1.00 40.42 H new ATOM 0 HE22 GLN A 59 -6.307 5.784 3.348 1.00 40.42 H new ATOM 989 N GLU A 60 -1.367 8.656 6.114 1.00 62.25 N ATOM 990 CA GLU A 60 -0.390 9.750 6.076 1.00 42.43 C ATOM 991 C GLU A 60 0.240 9.822 4.680 1.00 33.40 C ATOM 992 O GLU A 60 0.329 10.895 4.094 1.00 73.13 O ATOM 993 CB GLU A 60 0.707 9.478 7.100 1.00 2.30 C ATOM 994 CG GLU A 60 0.225 9.368 8.535 1.00 23.04 C ATOM 995 CD GLU A 60 -0.216 10.679 9.108 1.00 73.50 C ATOM 996 OE1 GLU A 60 -1.346 11.123 8.829 1.00 44.11 O ATOM 997 OE2 GLU A 60 0.571 11.289 9.878 1.00 15.11 O ATOM 0 H GLU A 60 -1.193 7.974 6.852 1.00 62.25 H new ATOM 0 HA GLU A 60 -0.889 10.692 6.305 1.00 42.43 H new ATOM 0 HB2 GLU A 60 1.215 8.552 6.830 1.00 2.30 H new ATOM 0 HB3 GLU A 60 1.447 10.276 7.040 1.00 2.30 H new ATOM 0 HG2 GLU A 60 -0.603 8.661 8.581 1.00 23.04 H new ATOM 0 HG3 GLU A 60 1.026 8.960 9.151 1.00 23.04 H new ATOM 1004 N TYR A 61 0.664 8.658 4.178 1.00 2.22 N ATOM 1005 CA TYR A 61 1.253 8.497 2.844 1.00 42.23 C ATOM 1006 C TYR A 61 0.364 9.082 1.745 1.00 55.25 C ATOM 1007 O TYR A 61 0.796 9.931 0.961 1.00 41.31 O ATOM 1008 CB TYR A 61 1.480 6.988 2.576 1.00 14.41 C ATOM 1009 CG TYR A 61 1.834 6.646 1.147 1.00 34.25 C ATOM 1010 CD1 TYR A 61 3.002 7.105 0.549 1.00 23.43 C ATOM 1011 CD2 TYR A 61 0.979 5.860 0.397 1.00 0.24 C ATOM 1012 CE1 TYR A 61 3.295 6.788 -0.766 1.00 73.44 C ATOM 1013 CE2 TYR A 61 1.253 5.534 -0.899 1.00 72.55 C ATOM 1014 CZ TYR A 61 2.414 5.999 -1.489 1.00 31.21 C ATOM 1015 OH TYR A 61 2.696 5.675 -2.800 1.00 64.22 O ATOM 0 H TYR A 61 0.606 7.783 4.698 1.00 2.22 H new ATOM 0 HA TYR A 61 2.197 9.041 2.824 1.00 42.23 H new ATOM 0 HB2 TYR A 61 2.278 6.633 3.228 1.00 14.41 H new ATOM 0 HB3 TYR A 61 0.577 6.444 2.852 1.00 14.41 H new ATOM 0 HD1 TYR A 61 3.688 7.716 1.117 1.00 23.43 H new ATOM 0 HD2 TYR A 61 0.069 5.494 0.850 1.00 0.24 H new ATOM 0 HE1 TYR A 61 4.202 7.152 -1.225 1.00 73.44 H new ATOM 0 HE2 TYR A 61 0.568 4.917 -1.461 1.00 72.55 H new ATOM 0 HH TYR A 61 1.977 5.115 -3.161 1.00 64.22 H new ATOM 1025 N LEU A 62 -0.859 8.632 1.713 1.00 62.13 N ATOM 1026 CA LEU A 62 -1.812 9.018 0.703 1.00 24.02 C ATOM 1027 C LEU A 62 -2.251 10.441 0.832 1.00 1.20 C ATOM 1028 O LEU A 62 -2.313 11.159 -0.158 1.00 62.02 O ATOM 1029 CB LEU A 62 -2.937 8.044 0.715 1.00 54.34 C ATOM 1030 CG LEU A 62 -2.495 6.696 0.191 1.00 5.21 C ATOM 1031 CD1 LEU A 62 -3.371 5.626 0.670 1.00 33.00 C ATOM 1032 CD2 LEU A 62 -2.474 6.699 -1.321 1.00 33.35 C ATOM 0 H LEU A 62 -1.231 7.975 2.399 1.00 62.13 H new ATOM 0 HA LEU A 62 -1.334 8.981 -0.276 1.00 24.02 H new ATOM 0 HB2 LEU A 62 -3.318 7.936 1.731 1.00 54.34 H new ATOM 0 HB3 LEU A 62 -3.757 8.423 0.106 1.00 54.34 H new ATOM 0 HG LEU A 62 -1.488 6.510 0.565 1.00 5.21 H new ATOM 0 HD11 LEU A 62 -3.027 4.670 0.276 1.00 33.00 H new ATOM 0 HD12 LEU A 62 -3.349 5.598 1.759 1.00 33.00 H new ATOM 0 HD13 LEU A 62 -4.391 5.812 0.332 1.00 33.00 H new ATOM 0 HD21 LEU A 62 -2.154 5.722 -1.682 1.00 33.35 H new ATOM 0 HD22 LEU A 62 -3.473 6.916 -1.698 1.00 33.35 H new ATOM 0 HD23 LEU A 62 -1.780 7.462 -1.674 1.00 33.35 H new ATOM 1044 N GLU A 63 -2.512 10.867 2.046 1.00 15.11 N ATOM 1045 CA GLU A 63 -2.853 12.257 2.305 1.00 54.25 C ATOM 1046 C GLU A 63 -1.723 13.167 1.840 1.00 11.14 C ATOM 1047 O GLU A 63 -1.960 14.224 1.222 1.00 71.24 O ATOM 1048 CB GLU A 63 -3.139 12.466 3.792 1.00 54.12 C ATOM 1049 CG GLU A 63 -4.408 11.790 4.276 1.00 74.10 C ATOM 1050 CD GLU A 63 -5.630 12.261 3.542 1.00 50.30 C ATOM 1051 OE1 GLU A 63 -6.160 13.340 3.893 1.00 12.15 O ATOM 1052 OE2 GLU A 63 -6.075 11.577 2.616 1.00 53.23 O ATOM 0 H GLU A 63 -2.496 10.274 2.875 1.00 15.11 H new ATOM 0 HA GLU A 63 -3.754 12.510 1.746 1.00 54.25 H new ATOM 0 HB2 GLU A 63 -2.295 12.089 4.370 1.00 54.12 H new ATOM 0 HB3 GLU A 63 -3.210 13.535 3.991 1.00 54.12 H new ATOM 0 HG2 GLU A 63 -4.309 10.711 4.155 1.00 74.10 H new ATOM 0 HG3 GLU A 63 -4.533 11.981 5.342 1.00 74.10 H new ATOM 1059 N LYS A 64 -0.505 12.734 2.116 1.00 52.30 N ATOM 1060 CA LYS A 64 0.693 13.432 1.723 1.00 61.42 C ATOM 1061 C LYS A 64 0.777 13.558 0.228 1.00 43.14 C ATOM 1062 O LYS A 64 0.617 14.616 -0.293 1.00 12.54 O ATOM 1063 CB LYS A 64 1.912 12.680 2.200 1.00 41.14 C ATOM 1064 CG LYS A 64 3.224 13.271 1.741 1.00 35.02 C ATOM 1065 CD LYS A 64 3.508 14.637 2.380 1.00 34.11 C ATOM 1066 CE LYS A 64 3.582 14.551 3.900 1.00 21.25 C ATOM 1067 NZ LYS A 64 3.834 15.865 4.517 1.00 73.25 N ATOM 0 H LYS A 64 -0.325 11.871 2.629 1.00 52.30 H new ATOM 0 HA LYS A 64 0.658 14.425 2.172 1.00 61.42 H new ATOM 0 HB2 LYS A 64 1.902 12.649 3.290 1.00 41.14 H new ATOM 0 HB3 LYS A 64 1.849 11.649 1.851 1.00 41.14 H new ATOM 0 HG2 LYS A 64 4.034 12.584 1.985 1.00 35.02 H new ATOM 0 HG3 LYS A 64 3.212 13.376 0.656 1.00 35.02 H new ATOM 0 HD2 LYS A 64 4.448 15.030 1.993 1.00 34.11 H new ATOM 0 HD3 LYS A 64 2.726 15.341 2.094 1.00 34.11 H new ATOM 0 HE2 LYS A 64 2.648 14.143 4.286 1.00 21.25 H new ATOM 0 HE3 LYS A 64 4.374 13.859 4.186 1.00 21.25 H new ATOM 0 HZ1 LYS A 64 3.877 15.761 5.551 1.00 73.25 H new ATOM 0 HZ2 LYS A 64 4.738 16.244 4.170 1.00 73.25 H new ATOM 0 HZ3 LYS A 64 3.065 16.519 4.267 1.00 73.25 H new ATOM 1081 N ALA A 65 1.006 12.441 -0.439 1.00 1.41 N ATOM 1082 CA ALA A 65 1.184 12.399 -1.897 1.00 32.32 C ATOM 1083 C ALA A 65 0.026 13.040 -2.671 1.00 3.22 C ATOM 1084 O ALA A 65 0.241 13.617 -3.741 1.00 50.12 O ATOM 1085 CB ALA A 65 1.372 10.969 -2.357 1.00 11.32 C ATOM 0 H ALA A 65 1.076 11.527 0.009 1.00 1.41 H new ATOM 0 HA ALA A 65 2.075 12.989 -2.114 1.00 32.32 H new ATOM 0 HB1 ALA A 65 1.503 10.949 -3.439 1.00 11.32 H new ATOM 0 HB2 ALA A 65 2.254 10.545 -1.877 1.00 11.32 H new ATOM 0 HB3 ALA A 65 0.494 10.382 -2.087 1.00 11.32 H new ATOM 1091 N LEU A 66 -1.181 12.954 -2.152 1.00 42.33 N ATOM 1092 CA LEU A 66 -2.308 13.583 -2.818 1.00 41.03 C ATOM 1093 C LEU A 66 -2.307 15.105 -2.619 1.00 2.31 C ATOM 1094 O LEU A 66 -2.695 15.857 -3.518 1.00 72.34 O ATOM 1095 CB LEU A 66 -3.646 12.961 -2.389 1.00 42.43 C ATOM 1096 CG LEU A 66 -3.862 11.485 -2.764 1.00 53.13 C ATOM 1097 CD1 LEU A 66 -5.211 10.998 -2.267 1.00 31.32 C ATOM 1098 CD2 LEU A 66 -3.747 11.283 -4.269 1.00 73.12 C ATOM 0 H LEU A 66 -1.408 12.464 -1.286 1.00 42.33 H new ATOM 0 HA LEU A 66 -2.192 13.394 -3.885 1.00 41.03 H new ATOM 0 HB2 LEU A 66 -3.736 13.056 -1.307 1.00 42.43 H new ATOM 0 HB3 LEU A 66 -4.453 13.547 -2.829 1.00 42.43 H new ATOM 0 HG LEU A 66 -3.081 10.898 -2.280 1.00 53.13 H new ATOM 0 HD11 LEU A 66 -5.344 9.952 -2.542 1.00 31.32 H new ATOM 0 HD12 LEU A 66 -5.256 11.096 -1.182 1.00 31.32 H new ATOM 0 HD13 LEU A 66 -6.003 11.596 -2.719 1.00 31.32 H new ATOM 0 HD21 LEU A 66 -3.904 10.231 -4.508 1.00 73.12 H new ATOM 0 HD22 LEU A 66 -4.500 11.886 -4.776 1.00 73.12 H new ATOM 0 HD23 LEU A 66 -2.755 11.587 -4.602 1.00 73.12 H new ATOM 1110 N ASN A 67 -1.867 15.554 -1.449 1.00 24.42 N ATOM 1111 CA ASN A 67 -1.787 16.995 -1.150 1.00 1.43 C ATOM 1112 C ASN A 67 -0.453 17.610 -1.632 1.00 2.33 C ATOM 1113 O ASN A 67 -0.373 18.803 -1.908 1.00 54.22 O ATOM 1114 CB ASN A 67 -1.984 17.224 0.362 1.00 5.13 C ATOM 1115 CG ASN A 67 -1.855 18.673 0.801 1.00 44.52 C ATOM 1116 OD1 ASN A 67 -2.829 19.430 0.778 1.00 44.04 O ATOM 1117 ND2 ASN A 67 -0.683 19.055 1.248 1.00 32.33 N ATOM 0 H ASN A 67 -1.559 14.949 -0.688 1.00 24.42 H new ATOM 0 HA ASN A 67 -2.584 17.500 -1.696 1.00 1.43 H new ATOM 0 HB2 ASN A 67 -2.970 16.858 0.647 1.00 5.13 H new ATOM 0 HB3 ASN A 67 -1.253 16.626 0.906 1.00 5.13 H new ATOM 0 HD21 ASN A 67 -0.554 20.006 1.592 1.00 32.33 H new ATOM 0 HD22 ASN A 67 0.099 18.401 1.252 1.00 32.33 H new ATOM 1124 N LYS A 68 0.562 16.784 -1.725 1.00 23.42 N ATOM 1125 CA LYS A 68 1.908 17.174 -2.119 1.00 62.00 C ATOM 1126 C LYS A 68 1.944 17.695 -3.555 1.00 34.14 C ATOM 1127 O LYS A 68 1.983 16.879 -4.488 1.00 35.77 O ATOM 1128 CB LYS A 68 2.857 15.979 -1.955 1.00 64.03 C ATOM 1129 CG LYS A 68 4.316 16.274 -2.254 1.00 41.14 C ATOM 1130 CD LYS A 68 5.152 15.036 -2.050 1.00 43.55 C ATOM 1131 CE LYS A 68 6.616 15.279 -2.372 1.00 51.12 C ATOM 1132 NZ LYS A 68 7.429 14.050 -2.217 1.00 3.32 N ATOM 1133 OXT LYS A 68 1.959 18.930 -3.752 1.00 35.77 O ATOM 0 H LYS A 68 0.478 15.788 -1.523 1.00 23.42 H new ATOM 0 HA LYS A 68 2.234 17.987 -1.471 1.00 62.00 H new ATOM 0 HB2 LYS A 68 2.779 15.609 -0.933 1.00 64.03 H new ATOM 0 HB3 LYS A 68 2.522 15.175 -2.611 1.00 64.03 H new ATOM 0 HG2 LYS A 68 4.420 16.626 -3.280 1.00 41.14 H new ATOM 0 HG3 LYS A 68 4.673 17.073 -1.605 1.00 41.14 H new ATOM 0 HD2 LYS A 68 5.059 14.702 -1.017 1.00 43.55 H new ATOM 0 HD3 LYS A 68 4.771 14.233 -2.681 1.00 43.55 H new ATOM 0 HE2 LYS A 68 6.706 15.647 -3.394 1.00 51.12 H new ATOM 0 HE3 LYS A 68 7.007 16.058 -1.717 1.00 51.12 H new ATOM 0 HZ1 LYS A 68 8.422 14.259 -2.446 1.00 3.32 H new ATOM 0 HZ2 LYS A 68 7.364 13.712 -1.236 1.00 3.32 H new ATOM 0 HZ3 LYS A 68 7.073 13.315 -2.860 1.00 3.32 H new TER 1147 LYS A 68