USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 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 29 ASN : amide:sc= -2.33! K(o=-4.6!,f=-1.7) USER MOD Set 1.2: A 33 GLN : amide:sc= -2.24! C(o=-4.6!,f=-1.7!) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0667 X(o=-0.067,f=-0.46) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= -0.167 (180deg=-1.02) USER MOD Single : A 7 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.15) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.236) USER MOD Single : A 10 GLN : amide:sc= -0.594 K(o=-0.59,f=-3.5!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0.0036) USER MOD Single : A 19 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-1) USER MOD Single : A 22 ASN : amide:sc= -4.12! C(o=-4.1!,f=-3.7!) USER MOD Single : A 24 ASN : amide:sc= -6.17! C(o=-6.2!,f=-0.95!) USER MOD Single : A 27 GLN : amide:sc= -0.824 X(o=-0.82,f=-0.71) USER MOD Single : A 34 SER OG : rot 80:sc= 0.675 USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= -1.23 (180deg=-4.77!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.85! C(o=-2.8!,f=-4.5!) USER MOD Single : A 42 SER OG : rot 130:sc= -0.42 USER MOD Single : A 44 ASN : amide:sc= -2.65 K(o=-2.7,f=-0.55) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0585 (180deg=-0.521) USER MOD Single : A 53 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.29) USER MOD Single : A 56 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 3.492 12.720 69.909 1.00 4.00 N ATOM 2 CA ASP A 1 2.364 12.762 70.882 1.00 0.02 C ATOM 3 C ASP A 1 1.588 11.450 70.819 1.00 22.23 C ATOM 4 O ASP A 1 0.781 11.239 69.914 1.00 11.23 O ATOM 5 CB ASP A 1 1.441 13.933 70.541 1.00 4.31 C ATOM 6 CG ASP A 1 0.356 14.069 71.604 1.00 21.31 C ATOM 7 OD1 ASP A 1 0.424 13.348 72.587 1.00 55.03 O ATOM 8 OD2 ASP A 1 -0.526 14.891 71.421 1.00 62.33 O ATOM 0 H1 ASP A 1 4.021 13.614 69.952 1.00 4.00 H new ATOM 0 H2 ASP A 1 4.126 11.931 70.147 1.00 4.00 H new ATOM 0 H3 ASP A 1 3.117 12.585 68.948 1.00 4.00 H new ATOM 0 HA ASP A 1 2.755 12.897 71.891 1.00 0.02 H new ATOM 0 HB2 ASP A 1 2.018 14.856 70.479 1.00 4.31 H new ATOM 0 HB3 ASP A 1 0.986 13.775 69.563 1.00 4.31 H new ATOM 15 N VAL A 2 1.834 10.571 71.793 1.00 72.12 N ATOM 16 CA VAL A 2 1.156 9.272 71.857 1.00 65.50 C ATOM 17 C VAL A 2 0.314 9.173 73.123 1.00 40.21 C ATOM 18 O VAL A 2 0.762 9.541 74.209 1.00 54.31 O ATOM 19 CB VAL A 2 2.189 8.145 71.839 1.00 42.24 C ATOM 20 CG1 VAL A 2 1.471 6.794 71.806 1.00 71.33 C ATOM 21 CG2 VAL A 2 3.069 8.284 70.592 1.00 32.35 C ATOM 0 H VAL A 2 2.498 10.734 72.550 1.00 72.12 H new ATOM 0 HA VAL A 2 0.502 9.179 70.990 1.00 65.50 H new ATOM 0 HB VAL A 2 2.809 8.205 72.734 1.00 42.24 H new ATOM 0 HG11 VAL A 2 2.208 5.991 71.793 1.00 71.33 H new ATOM 0 HG12 VAL A 2 0.841 6.695 72.690 1.00 71.33 H new ATOM 0 HG13 VAL A 2 0.852 6.733 70.911 1.00 71.33 H new ATOM 0 HG21 VAL A 2 3.807 7.482 70.576 1.00 32.35 H new ATOM 0 HG22 VAL A 2 2.447 8.223 69.699 1.00 32.35 H new ATOM 0 HG23 VAL A 2 3.580 9.247 70.613 1.00 32.35 H new ATOM 31 N ASP A 3 -0.913 8.681 72.973 1.00 64.54 N ATOM 32 CA ASP A 3 -1.822 8.543 74.106 1.00 51.40 C ATOM 33 C ASP A 3 -1.556 7.258 74.878 1.00 55.22 C ATOM 34 O ASP A 3 -1.670 6.155 74.343 1.00 31.52 O ATOM 35 CB ASP A 3 -3.270 8.553 73.630 1.00 2.12 C ATOM 36 CG ASP A 3 -4.211 8.541 74.830 1.00 2.21 C ATOM 37 OD1 ASP A 3 -3.721 8.634 75.942 1.00 31.33 O ATOM 38 OD2 ASP A 3 -5.409 8.439 74.617 1.00 53.33 O ATOM 0 H ASP A 3 -1.299 8.372 72.081 1.00 64.54 H new ATOM 0 HA ASP A 3 -1.648 9.390 74.769 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -3.455 9.437 73.020 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -3.460 7.685 72.999 1.00 2.12 H new ATOM 43 N ASN A 4 -1.211 7.424 76.143 1.00 21.22 N ATOM 44 CA ASN A 4 -0.931 6.302 77.026 1.00 74.53 C ATOM 45 C ASN A 4 -2.117 5.341 77.054 1.00 2.31 C ATOM 46 O ASN A 4 -1.946 4.129 77.184 1.00 73.04 O ATOM 47 CB ASN A 4 -0.675 6.845 78.426 1.00 35.42 C ATOM 48 CG ASN A 4 0.521 7.786 78.386 1.00 15.25 C ATOM 49 OD1 ASN A 4 1.527 7.487 77.742 1.00 73.42 O ATOM 50 ND2 ASN A 4 0.443 8.940 78.982 1.00 41.51 N ATOM 0 H ASN A 4 -1.117 8.337 76.587 1.00 21.22 H new ATOM 0 HA ASN A 4 -0.057 5.759 76.666 1.00 74.53 H new ATOM 0 HB2 ASN A 4 -1.556 7.373 78.791 1.00 35.42 H new ATOM 0 HB3 ASN A 4 -0.485 6.025 79.118 1.00 35.42 H new ATOM 0 HD21 ASN A 4 1.217 9.601 78.917 1.00 41.51 H new ATOM 0 HD22 ASN A 4 -0.392 9.184 79.514 1.00 41.51 H new ATOM 57 N LYS A 5 -3.320 5.901 76.939 1.00 24.34 N ATOM 58 CA LYS A 5 -4.544 5.103 76.959 1.00 63.52 C ATOM 59 C LYS A 5 -4.881 4.597 75.559 1.00 65.42 C ATOM 60 O LYS A 5 -4.558 5.235 74.557 1.00 22.02 O ATOM 61 CB LYS A 5 -5.706 5.939 77.503 1.00 32.14 C ATOM 62 CG LYS A 5 -5.425 6.307 78.962 1.00 62.41 C ATOM 63 CD LYS A 5 -6.632 7.040 79.551 1.00 65.43 C ATOM 64 CE LYS A 5 -6.302 7.509 80.969 1.00 5.34 C ATOM 65 NZ LYS A 5 -5.083 8.365 80.939 1.00 2.24 N ATOM 0 H LYS A 5 -3.473 6.904 76.831 1.00 24.34 H new ATOM 0 HA LYS A 5 -4.384 4.243 77.610 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -5.830 6.842 76.906 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -6.638 5.378 77.430 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -5.216 5.407 79.540 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -4.539 6.938 79.024 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -6.893 7.894 78.926 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -7.499 6.380 79.567 1.00 65.43 H new ATOM 0 HE2 LYS A 5 -7.141 8.068 81.383 1.00 5.34 H new ATOM 0 HE3 LYS A 5 -6.140 6.649 81.619 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 -5.056 8.960 81.791 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -4.236 7.762 80.910 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -5.105 8.971 80.094 1.00 2.24 H new ATOM 79 N PHE A 6 -5.510 3.424 75.509 1.00 34.42 N ATOM 80 CA PHE A 6 -5.879 2.778 74.244 1.00 65.23 C ATOM 81 C PHE A 6 -7.392 2.623 74.140 1.00 31.13 C ATOM 82 O PHE A 6 -8.098 2.613 75.149 1.00 43.25 O ATOM 83 CB PHE A 6 -5.227 1.396 74.157 1.00 73.01 C ATOM 84 CG PHE A 6 -3.725 1.543 74.163 1.00 30.30 C ATOM 85 CD1 PHE A 6 -3.040 1.792 72.967 1.00 30.30 C ATOM 86 CD2 PHE A 6 -3.016 1.428 75.365 1.00 1.34 C ATOM 87 CE1 PHE A 6 -1.646 1.926 72.974 1.00 32.22 C ATOM 88 CE2 PHE A 6 -1.623 1.562 75.371 1.00 5.13 C ATOM 89 CZ PHE A 6 -0.937 1.810 74.176 1.00 14.35 C ATOM 0 H PHE A 6 -5.779 2.894 76.338 1.00 34.42 H new ATOM 0 HA PHE A 6 -5.529 3.406 73.425 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -5.545 0.779 74.997 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -5.549 0.887 73.248 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -3.587 1.881 72.040 1.00 30.30 H new ATOM 0 HD2 PHE A 6 -3.544 1.236 76.287 1.00 1.34 H new ATOM 0 HE1 PHE A 6 -1.118 2.119 72.052 1.00 32.22 H new ATOM 0 HE2 PHE A 6 -1.077 1.474 76.298 1.00 5.13 H new ATOM 0 HZ PHE A 6 0.138 1.912 74.181 1.00 14.35 H new ATOM 99 N ASN A 7 -7.883 2.519 72.905 1.00 24.33 N ATOM 100 CA ASN A 7 -9.319 2.381 72.656 1.00 2.44 C ATOM 101 C ASN A 7 -9.683 0.911 72.510 1.00 4.24 C ATOM 102 O ASN A 7 -8.883 0.101 72.050 1.00 63.22 O ATOM 103 CB ASN A 7 -9.710 3.148 71.395 1.00 1.34 C ATOM 104 CG ASN A 7 -9.478 4.642 71.602 1.00 61.41 C ATOM 105 OD1 ASN A 7 -9.753 5.443 70.708 1.00 31.24 O ATOM 106 ND2 ASN A 7 -8.986 5.066 72.734 1.00 44.11 N ATOM 0 H ASN A 7 -7.309 2.528 72.062 1.00 24.33 H new ATOM 0 HA ASN A 7 -9.866 2.797 73.502 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -9.123 2.794 70.547 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -10.758 2.963 71.157 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -8.828 6.063 72.880 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -8.759 4.400 73.473 1.00 44.11 H new ATOM 113 N LYS A 8 -10.869 0.552 72.982 1.00 61.30 N ATOM 114 CA LYS A 8 -11.275 -0.845 72.961 1.00 61.55 C ATOM 115 C LYS A 8 -11.249 -1.430 71.552 1.00 72.40 C ATOM 116 O LYS A 8 -10.800 -2.563 71.374 1.00 42.23 O ATOM 117 CB LYS A 8 -12.690 -0.963 73.536 1.00 32.14 C ATOM 118 CG LYS A 8 -13.098 -2.436 73.653 1.00 14.23 C ATOM 119 CD LYS A 8 -14.536 -2.521 74.170 1.00 51.30 C ATOM 120 CE LYS A 8 -14.900 -3.983 74.435 1.00 52.51 C ATOM 121 NZ LYS A 8 -14.912 -4.732 73.147 1.00 71.20 N ATOM 0 H LYS A 8 -11.555 1.195 73.377 1.00 61.30 H new ATOM 0 HA LYS A 8 -10.565 -1.410 73.565 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -12.732 -0.488 74.516 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -13.395 -0.433 72.895 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -13.018 -2.926 72.683 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -12.424 -2.960 74.331 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -14.639 -1.938 75.085 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -15.222 -2.091 73.440 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -14.180 -4.430 75.121 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -15.877 -4.045 74.913 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -15.367 -5.657 73.287 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -15.442 -4.190 72.435 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -13.935 -4.873 72.818 1.00 71.20 H new ATOM 135 N GLU A 9 -11.695 -0.687 70.537 1.00 72.23 N ATOM 136 CA GLU A 9 -11.639 -1.251 69.195 1.00 15.52 C ATOM 137 C GLU A 9 -10.181 -1.466 68.800 1.00 22.04 C ATOM 138 O GLU A 9 -9.827 -2.475 68.191 1.00 4.12 O ATOM 139 CB GLU A 9 -12.308 -0.299 68.193 1.00 2.22 C ATOM 140 CG GLU A 9 -13.809 -0.177 68.491 1.00 55.14 C ATOM 141 CD GLU A 9 -14.506 -1.528 68.346 1.00 44.44 C ATOM 142 OE1 GLU A 9 -13.933 -2.409 67.725 1.00 35.20 O ATOM 143 OE2 GLU A 9 -15.606 -1.661 68.858 1.00 40.33 O ATOM 0 H GLU A 9 -12.078 0.255 70.612 1.00 72.23 H new ATOM 0 HA GLU A 9 -12.169 -2.204 69.184 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -11.839 0.684 68.246 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -12.161 -0.667 67.178 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -13.953 0.204 69.502 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -14.261 0.545 67.811 1.00 55.14 H new ATOM 150 N GLN A 10 -9.339 -0.519 69.210 1.00 44.42 N ATOM 151 CA GLN A 10 -7.906 -0.601 68.964 1.00 55.14 C ATOM 152 C GLN A 10 -7.267 -1.805 69.651 1.00 44.55 C ATOM 153 O GLN A 10 -6.342 -2.424 69.118 1.00 74.40 O ATOM 154 CB GLN A 10 -7.242 0.714 69.391 1.00 42.31 C ATOM 155 CG GLN A 10 -7.733 1.836 68.470 1.00 54.11 C ATOM 156 CD GLN A 10 -7.144 3.173 68.907 1.00 24.14 C ATOM 157 OE1 GLN A 10 -6.645 3.297 70.025 1.00 71.44 O ATOM 158 NE2 GLN A 10 -7.175 4.189 68.087 1.00 70.02 N ATOM 0 H GLN A 10 -9.630 0.317 69.717 1.00 44.42 H new ATOM 0 HA GLN A 10 -7.748 -0.750 67.896 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -7.488 0.942 70.428 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -6.157 0.625 69.333 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -7.445 1.623 67.440 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -8.822 1.885 68.493 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -7.589 4.084 67.161 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -6.785 5.087 68.373 1.00 70.02 H new ATOM 167 N GLN A 11 -7.759 -2.126 70.844 1.00 23.31 N ATOM 168 CA GLN A 11 -7.216 -3.248 71.599 1.00 35.21 C ATOM 169 C GLN A 11 -7.316 -4.540 70.801 1.00 31.32 C ATOM 170 O GLN A 11 -6.411 -5.374 70.832 1.00 14.42 O ATOM 171 CB GLN A 11 -7.981 -3.398 72.916 1.00 43.44 C ATOM 172 CG GLN A 11 -7.294 -4.440 73.804 1.00 25.43 C ATOM 173 CD GLN A 11 -8.132 -4.689 75.052 1.00 5.02 C ATOM 174 OE1 GLN A 11 -9.287 -5.104 74.953 1.00 45.33 O ATOM 175 NE2 GLN A 11 -7.618 -4.461 76.229 1.00 62.12 N ATOM 0 H GLN A 11 -8.524 -1.631 71.304 1.00 23.31 H new ATOM 0 HA GLN A 11 -6.164 -3.049 71.803 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -8.024 -2.439 73.433 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -9.009 -3.699 72.717 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -7.162 -5.371 73.252 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -6.300 -4.092 74.086 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -6.661 -4.117 76.310 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -8.173 -4.627 77.069 1.00 62.12 H new ATOM 184 N ASN A 12 -8.425 -4.702 70.090 1.00 13.41 N ATOM 185 CA ASN A 12 -8.630 -5.902 69.294 1.00 72.10 C ATOM 186 C ASN A 12 -7.501 -6.104 68.293 1.00 64.04 C ATOM 187 O ASN A 12 -7.077 -7.233 68.043 1.00 71.12 O ATOM 188 CB ASN A 12 -9.960 -5.808 68.544 1.00 65.50 C ATOM 189 CG ASN A 12 -10.262 -7.134 67.854 1.00 14.44 C ATOM 190 OD1 ASN A 12 -10.129 -7.244 66.635 1.00 30.24 O ATOM 191 ND2 ASN A 12 -10.665 -8.152 68.563 1.00 22.34 N ATOM 0 H ASN A 12 -9.187 -4.025 70.049 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.645 -6.754 69.973 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -10.762 -5.559 69.239 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -9.916 -5.006 67.807 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -10.871 -9.041 68.108 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -10.775 -8.059 69.573 1.00 22.34 H new ATOM 198 N ALA A 13 -7.032 -5.010 67.701 1.00 31.21 N ATOM 199 CA ALA A 13 -5.971 -5.108 66.711 1.00 71.52 C ATOM 200 C ALA A 13 -4.679 -5.650 67.305 1.00 24.53 C ATOM 201 O ALA A 13 -3.977 -6.423 66.656 1.00 54.55 O ATOM 202 CB ALA A 13 -5.712 -3.725 66.095 1.00 63.24 C ATOM 0 H ALA A 13 -7.364 -4.063 67.886 1.00 31.21 H new ATOM 0 HA ALA A 13 -6.301 -5.808 65.944 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -4.917 -3.800 65.353 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -6.622 -3.364 65.616 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -5.413 -3.028 66.878 1.00 63.24 H new ATOM 208 N PHE A 14 -4.362 -5.252 68.532 1.00 65.22 N ATOM 209 CA PHE A 14 -3.134 -5.731 69.155 1.00 35.44 C ATOM 210 C PHE A 14 -3.089 -7.239 69.287 1.00 4.41 C ATOM 211 O PHE A 14 -2.069 -7.866 69.006 1.00 71.43 O ATOM 212 CB PHE A 14 -3.010 -5.152 70.564 1.00 55.01 C ATOM 213 CG PHE A 14 -1.690 -5.578 71.162 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.533 -4.825 70.927 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.627 -6.735 71.964 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.688 -5.222 71.488 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.408 -7.128 72.524 1.00 42.42 C ATOM 218 CZ PHE A 14 0.750 -6.374 72.287 1.00 2.31 C ATOM 0 H PHE A 14 -4.921 -4.617 69.102 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.319 -5.410 68.507 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -3.073 -4.064 70.530 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -3.834 -5.500 71.187 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -0.582 -3.938 70.313 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.519 -7.317 72.146 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.581 -4.642 71.306 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.358 -8.014 73.140 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.691 -6.680 72.720 1.00 2.31 H new ATOM 228 N TRP A 15 -4.177 -7.811 69.768 1.00 12.23 N ATOM 229 CA TRP A 15 -4.203 -9.239 69.984 1.00 25.15 C ATOM 230 C TRP A 15 -3.953 -10.012 68.693 1.00 25.25 C ATOM 231 O TRP A 15 -3.287 -11.047 68.694 1.00 74.33 O ATOM 232 CB TRP A 15 -5.530 -9.672 70.602 1.00 34.13 C ATOM 233 CG TRP A 15 -5.357 -11.061 71.107 1.00 51.05 C ATOM 234 CD1 TRP A 15 -4.873 -11.339 72.332 1.00 42.54 C ATOM 235 CD2 TRP A 15 -5.612 -12.341 70.461 1.00 12.12 C ATOM 236 NE1 TRP A 15 -4.795 -12.698 72.486 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.251 -13.370 71.365 1.00 34.20 C ATOM 238 CE3 TRP A 15 -6.115 -12.710 69.201 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -5.382 -14.718 71.029 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -6.250 -14.067 68.860 1.00 73.32 C ATOM 241 CH2 TRP A 15 -5.885 -15.068 69.773 1.00 14.45 C ATOM 0 H TRP A 15 -5.036 -7.318 70.011 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.396 -9.472 70.678 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -5.812 -9.001 71.414 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -6.329 -9.630 69.862 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -4.591 -10.607 73.075 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -4.443 -13.159 73.325 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -6.399 -11.947 68.491 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -5.097 -15.485 71.734 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -6.637 -14.341 67.890 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -5.993 -16.109 69.505 1.00 14.45 H new ATOM 252 N GLU A 16 -4.530 -9.517 67.600 1.00 74.21 N ATOM 253 CA GLU A 16 -4.404 -10.187 66.309 1.00 41.10 C ATOM 254 C GLU A 16 -2.964 -10.257 65.826 1.00 51.32 C ATOM 255 O GLU A 16 -2.573 -11.228 65.179 1.00 41.00 O ATOM 256 CB GLU A 16 -5.251 -9.460 65.263 1.00 2.25 C ATOM 257 CG GLU A 16 -6.730 -9.569 65.638 1.00 70.52 C ATOM 258 CD GLU A 16 -7.588 -8.905 64.565 1.00 51.23 C ATOM 259 OE1 GLU A 16 -7.023 -8.263 63.695 1.00 0.43 O ATOM 260 OE2 GLU A 16 -8.798 -9.050 64.629 1.00 3.24 O ATOM 0 H GLU A 16 -5.085 -8.661 67.582 1.00 74.21 H new ATOM 0 HA GLU A 16 -4.757 -11.209 66.444 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -4.956 -8.412 65.205 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -5.082 -9.894 64.277 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -7.011 -10.617 65.744 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -6.906 -9.093 66.603 1.00 70.52 H new ATOM 267 N ILE A 17 -2.170 -9.236 66.124 1.00 1.12 N ATOM 268 CA ILE A 17 -0.785 -9.249 65.676 1.00 74.12 C ATOM 269 C ILE A 17 -0.072 -10.481 66.223 1.00 52.43 C ATOM 270 O ILE A 17 0.669 -11.152 65.507 1.00 71.24 O ATOM 271 CB ILE A 17 -0.066 -7.983 66.178 1.00 31.21 C ATOM 272 CG1 ILE A 17 -0.792 -6.705 65.712 1.00 21.11 C ATOM 273 CG2 ILE A 17 1.371 -7.965 65.659 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.148 -6.780 64.223 1.00 11.10 C ATOM 0 H ILE A 17 -2.450 -8.413 66.657 1.00 1.12 H new ATOM 0 HA ILE A 17 -0.766 -9.274 64.586 1.00 74.12 H new ATOM 0 HB ILE A 17 -0.069 -8.004 67.268 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -1.700 -6.565 66.299 1.00 21.11 H new ATOM 0 HG13 ILE A 17 -0.158 -5.837 65.894 1.00 21.11 H new ATOM 0 HG21 ILE A 17 1.876 -7.068 66.017 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.899 -8.847 66.021 1.00 5.42 H new ATOM 0 HG23 ILE A 17 1.364 -7.967 64.569 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -1.659 -5.865 63.924 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.237 -6.895 63.636 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -1.802 -7.634 64.048 1.00 11.10 H new ATOM 286 N LEU A 18 -0.305 -10.775 67.496 1.00 13.32 N ATOM 287 CA LEU A 18 0.313 -11.935 68.124 1.00 64.35 C ATOM 288 C LEU A 18 -0.139 -13.249 67.479 1.00 73.55 C ATOM 289 O LEU A 18 0.621 -14.213 67.403 1.00 1.11 O ATOM 290 CB LEU A 18 -0.085 -11.977 69.605 1.00 23.24 C ATOM 291 CG LEU A 18 0.313 -10.677 70.326 1.00 32.10 C ATOM 292 CD1 LEU A 18 0.002 -10.820 71.821 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.810 -10.392 70.141 1.00 62.50 C ATOM 0 H LEU A 18 -0.912 -10.231 68.109 1.00 13.32 H new ATOM 0 HA LEU A 18 1.391 -11.837 67.999 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.161 -12.129 69.691 1.00 23.24 H new ATOM 0 HB3 LEU A 18 0.396 -12.827 70.090 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.253 -9.848 69.901 1.00 32.10 H new ATOM 0 HD11 LEU A 18 0.281 -9.903 72.340 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -1.064 -11.003 71.955 1.00 51.45 H new ATOM 0 HD13 LEU A 18 0.568 -11.656 72.232 1.00 51.45 H new ATOM 0 HD21 LEU A 18 2.071 -9.469 70.658 1.00 62.50 H new ATOM 0 HD22 LEU A 18 2.391 -11.216 70.554 1.00 62.50 H new ATOM 0 HD23 LEU A 18 2.032 -10.288 69.079 1.00 62.50 H new ATOM 305 N HIS A 19 -1.414 -13.292 67.097 1.00 44.31 N ATOM 306 CA HIS A 19 -2.015 -14.510 66.547 1.00 21.24 C ATOM 307 C HIS A 19 -1.380 -15.061 65.263 1.00 30.12 C ATOM 308 O HIS A 19 -1.181 -16.262 65.171 1.00 12.43 O ATOM 309 CB HIS A 19 -3.502 -14.255 66.286 1.00 12.43 C ATOM 310 CG HIS A 19 -4.155 -15.527 65.817 1.00 42.34 C ATOM 311 ND1 HIS A 19 -4.319 -15.821 64.472 1.00 65.23 N ATOM 312 CD2 HIS A 19 -4.682 -16.594 66.501 1.00 34.10 C ATOM 313 CE1 HIS A 19 -4.922 -17.021 64.390 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.165 -17.537 65.598 1.00 31.43 N ATOM 0 H HIS A 19 -2.052 -12.499 67.157 1.00 44.31 H new ATOM 0 HA HIS A 19 -1.839 -15.275 67.303 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -3.986 -13.899 67.196 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -3.622 -13.474 65.535 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -4.717 -16.688 67.576 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -5.178 -17.508 63.461 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -5.609 -18.430 65.813 1.00 31.43 H new ATOM 323 N LEU A 20 -1.095 -14.199 64.284 1.00 53.41 N ATOM 324 CA LEU A 20 -0.553 -14.646 62.978 1.00 33.53 C ATOM 325 C LEU A 20 0.374 -15.867 63.106 1.00 54.01 C ATOM 326 O LEU A 20 1.588 -15.702 63.246 1.00 31.14 O ATOM 327 CB LEU A 20 0.223 -13.492 62.325 1.00 25.23 C ATOM 328 CG LEU A 20 -0.504 -12.166 62.557 1.00 15.11 C ATOM 329 CD1 LEU A 20 0.175 -11.066 61.739 1.00 11.51 C ATOM 330 CD2 LEU A 20 -1.964 -12.294 62.119 1.00 14.15 C ATOM 0 H LEU A 20 -1.226 -13.190 64.360 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.402 -14.942 62.362 1.00 33.53 H new ATOM 0 HB2 LEU A 20 1.229 -13.440 62.740 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.328 -13.675 61.256 1.00 25.23 H new ATOM 0 HG LEU A 20 -0.465 -11.914 63.617 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.341 -10.120 61.902 1.00 11.51 H new ATOM 0 HD12 LEU A 20 1.215 -10.970 62.050 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.135 -11.323 60.680 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.478 -11.348 62.286 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -2.005 -12.547 61.060 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.450 -13.078 62.699 1.00 14.15 H new ATOM 342 N PRO A 21 -0.148 -17.094 63.093 1.00 5.43 N ATOM 343 CA PRO A 21 0.724 -18.298 63.270 1.00 4.55 C ATOM 344 C PRO A 21 1.674 -18.523 62.090 1.00 42.01 C ATOM 345 O PRO A 21 2.806 -18.974 62.257 1.00 40.55 O ATOM 346 CB PRO A 21 -0.277 -19.453 63.430 1.00 51.03 C ATOM 347 CG PRO A 21 -1.500 -19.014 62.687 1.00 52.01 C ATOM 348 CD PRO A 21 -1.565 -17.483 62.821 1.00 10.12 C ATOM 0 HA PRO A 21 1.392 -18.195 64.125 1.00 4.55 H new ATOM 0 HB2 PRO A 21 0.122 -20.380 63.019 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -0.500 -19.639 64.481 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.445 -19.310 61.639 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.394 -19.478 63.103 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -1.941 -17.016 61.911 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.227 -17.179 63.632 1.00 10.12 H new ATOM 356 N ASN A 22 1.175 -18.217 60.895 1.00 21.44 N ATOM 357 CA ASN A 22 1.939 -18.391 59.661 1.00 1.13 C ATOM 358 C ASN A 22 3.247 -17.602 59.644 1.00 54.44 C ATOM 359 O ASN A 22 4.235 -18.036 59.051 1.00 64.32 O ATOM 360 CB ASN A 22 1.086 -17.994 58.456 1.00 64.41 C ATOM 361 CG ASN A 22 -0.107 -18.933 58.303 1.00 1.31 C ATOM 362 OD1 ASN A 22 -0.133 -20.011 58.896 1.00 33.00 O ATOM 363 ND2 ASN A 22 -1.092 -18.597 57.507 1.00 41.12 N ATOM 0 H ASN A 22 0.236 -17.844 60.754 1.00 21.44 H new ATOM 0 HA ASN A 22 2.204 -19.447 59.608 1.00 1.13 H new ATOM 0 HB2 ASN A 22 0.735 -16.969 58.575 1.00 64.41 H new ATOM 0 HB3 ASN A 22 1.693 -18.020 57.551 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.882 -19.229 57.378 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -1.069 -17.703 57.016 1.00 41.12 H new ATOM 370 N LEU A 23 3.236 -16.419 60.254 1.00 72.44 N ATOM 371 CA LEU A 23 4.412 -15.540 60.260 1.00 24.15 C ATOM 372 C LEU A 23 5.285 -15.740 61.489 1.00 4.35 C ATOM 373 O LEU A 23 4.789 -15.979 62.590 1.00 20.33 O ATOM 374 CB LEU A 23 3.980 -14.069 60.168 1.00 62.31 C ATOM 375 CG LEU A 23 3.265 -13.792 58.825 1.00 5.24 C ATOM 376 CD1 LEU A 23 1.803 -14.309 58.827 1.00 2.41 C ATOM 377 CD2 LEU A 23 3.291 -12.279 58.545 1.00 50.21 C ATOM 0 H LEU A 23 2.428 -16.044 60.751 1.00 72.44 H new ATOM 0 HA LEU A 23 5.008 -15.807 59.387 1.00 24.15 H new ATOM 0 HB2 LEU A 23 3.314 -13.828 60.997 1.00 62.31 H new ATOM 0 HB3 LEU A 23 4.852 -13.422 60.261 1.00 62.31 H new ATOM 0 HG LEU A 23 3.795 -14.330 58.039 1.00 5.24 H new ATOM 0 HD11 LEU A 23 1.339 -14.093 57.864 1.00 2.41 H new ATOM 0 HD12 LEU A 23 1.798 -15.385 58.999 1.00 2.41 H new ATOM 0 HD13 LEU A 23 1.243 -13.812 59.619 1.00 2.41 H new ATOM 0 HD21 LEU A 23 2.789 -12.075 57.599 1.00 50.21 H new ATOM 0 HD22 LEU A 23 2.778 -11.751 59.349 1.00 50.21 H new ATOM 0 HD23 LEU A 23 4.324 -11.937 58.488 1.00 50.21 H new ATOM 389 N ASN A 24 6.602 -15.633 61.287 1.00 53.33 N ATOM 390 CA ASN A 24 7.548 -15.798 62.382 1.00 34.12 C ATOM 391 C ASN A 24 7.574 -14.539 63.244 1.00 21.20 C ATOM 392 O ASN A 24 6.947 -13.532 62.911 1.00 4.03 O ATOM 393 CB ASN A 24 8.951 -16.114 61.850 1.00 54.45 C ATOM 394 CG ASN A 24 9.558 -14.907 61.141 1.00 14.24 C ATOM 395 OD1 ASN A 24 10.689 -14.978 60.661 1.00 52.10 O ATOM 396 ND2 ASN A 24 8.876 -13.802 61.033 1.00 10.10 N ATOM 0 H ASN A 24 7.029 -15.435 60.382 1.00 53.33 H new ATOM 0 HA ASN A 24 7.224 -16.639 62.995 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.596 -16.416 62.675 1.00 54.45 H new ATOM 0 HB3 ASN A 24 8.900 -16.956 61.160 1.00 54.45 H new ATOM 0 HD21 ASN A 24 9.280 -12.999 60.552 1.00 10.10 H new ATOM 0 HD22 ASN A 24 7.938 -13.741 61.430 1.00 10.10 H new ATOM 403 N GLU A 25 8.250 -14.625 64.377 1.00 2.50 N ATOM 404 CA GLU A 25 8.297 -13.516 65.322 1.00 70.01 C ATOM 405 C GLU A 25 8.871 -12.210 64.746 1.00 23.41 C ATOM 406 O GLU A 25 8.438 -11.135 65.150 1.00 54.44 O ATOM 407 CB GLU A 25 9.126 -13.944 66.541 1.00 41.34 C ATOM 408 CG GLU A 25 9.080 -12.865 67.633 1.00 14.41 C ATOM 409 CD GLU A 25 9.984 -13.266 68.794 1.00 31.22 C ATOM 410 OE1 GLU A 25 10.609 -14.309 68.700 1.00 53.54 O ATOM 411 OE2 GLU A 25 10.039 -12.523 69.760 1.00 60.43 O ATOM 0 H GLU A 25 8.775 -15.450 64.667 1.00 2.50 H new ATOM 0 HA GLU A 25 7.264 -13.292 65.590 1.00 70.01 H new ATOM 0 HB2 GLU A 25 8.743 -14.885 66.936 1.00 41.34 H new ATOM 0 HB3 GLU A 25 10.159 -14.121 66.241 1.00 41.34 H new ATOM 0 HG2 GLU A 25 9.401 -11.907 67.224 1.00 14.41 H new ATOM 0 HG3 GLU A 25 8.057 -12.734 67.985 1.00 14.41 H new ATOM 418 N GLU A 26 9.867 -12.256 63.862 1.00 15.03 N ATOM 419 CA GLU A 26 10.420 -10.983 63.387 1.00 73.00 C ATOM 420 C GLU A 26 9.372 -10.132 62.655 1.00 60.10 C ATOM 421 O GLU A 26 9.288 -8.914 62.869 1.00 20.24 O ATOM 422 CB GLU A 26 11.602 -11.260 62.448 1.00 33.15 C ATOM 423 CG GLU A 26 12.288 -9.946 62.057 1.00 23.24 C ATOM 424 CD GLU A 26 13.398 -10.222 61.048 1.00 21.30 C ATOM 425 OE1 GLU A 26 13.568 -11.374 60.685 1.00 64.52 O ATOM 426 OE2 GLU A 26 14.061 -9.277 60.653 1.00 33.33 O ATOM 0 H GLU A 26 10.288 -13.102 63.478 1.00 15.03 H new ATOM 0 HA GLU A 26 10.750 -10.419 64.260 1.00 73.00 H new ATOM 0 HB2 GLU A 26 12.318 -11.920 62.938 1.00 33.15 H new ATOM 0 HB3 GLU A 26 11.252 -11.776 61.554 1.00 33.15 H new ATOM 0 HG2 GLU A 26 11.559 -9.258 61.630 1.00 23.24 H new ATOM 0 HG3 GLU A 26 12.701 -9.463 62.943 1.00 23.24 H new ATOM 433 N GLN A 27 8.538 -10.766 61.834 1.00 53.11 N ATOM 434 CA GLN A 27 7.487 -10.023 61.147 1.00 10.33 C ATOM 435 C GLN A 27 6.513 -9.417 62.137 1.00 42.41 C ATOM 436 O GLN A 27 5.989 -8.324 61.931 1.00 34.43 O ATOM 437 CB GLN A 27 6.727 -10.922 60.176 1.00 64.43 C ATOM 438 CG GLN A 27 7.655 -11.393 59.056 1.00 31.30 C ATOM 439 CD GLN A 27 6.873 -12.257 58.071 1.00 54.30 C ATOM 440 OE1 GLN A 27 6.685 -13.450 58.306 1.00 43.24 O ATOM 441 NE2 GLN A 27 6.387 -11.717 56.985 1.00 5.41 N ATOM 0 H GLN A 27 8.567 -11.765 61.632 1.00 53.11 H new ATOM 0 HA GLN A 27 7.969 -9.222 60.587 1.00 10.33 H new ATOM 0 HB2 GLN A 27 6.321 -11.783 60.708 1.00 64.43 H new ATOM 0 HB3 GLN A 27 5.881 -10.380 59.753 1.00 64.43 H new ATOM 0 HG2 GLN A 27 8.084 -10.534 58.540 1.00 31.30 H new ATOM 0 HG3 GLN A 27 8.486 -11.962 59.474 1.00 31.30 H new ATOM 0 HE21 GLN A 27 6.544 -10.728 56.793 1.00 5.41 H new ATOM 0 HE22 GLN A 27 5.850 -12.285 56.329 1.00 5.41 H new ATOM 450 N ARG A 28 6.250 -10.168 63.200 1.00 62.14 N ATOM 451 CA ARG A 28 5.304 -9.731 64.208 1.00 4.15 C ATOM 452 C ARG A 28 5.702 -8.382 64.794 1.00 35.40 C ATOM 453 O ARG A 28 4.857 -7.512 65.001 1.00 32.24 O ATOM 454 CB ARG A 28 5.287 -10.790 65.314 1.00 51.12 C ATOM 455 CG ARG A 28 4.229 -10.475 66.360 1.00 62.14 C ATOM 456 CD ARG A 28 4.345 -11.504 67.484 1.00 71.02 C ATOM 457 NE ARG A 28 4.104 -12.845 66.960 1.00 31.13 N ATOM 458 CZ ARG A 28 4.634 -13.924 67.534 1.00 54.21 C ATOM 459 NH1 ARG A 28 5.397 -13.801 68.588 1.00 41.20 N ATOM 460 NH2 ARG A 28 4.392 -15.109 67.041 1.00 12.35 N ATOM 0 H ARG A 28 6.678 -11.076 63.382 1.00 62.14 H new ATOM 0 HA ARG A 28 4.318 -9.613 63.758 1.00 4.15 H new ATOM 0 HB2 ARG A 28 5.092 -11.770 64.879 1.00 51.12 H new ATOM 0 HB3 ARG A 28 6.267 -10.841 65.788 1.00 51.12 H new ATOM 0 HG2 ARG A 28 4.370 -9.468 66.751 1.00 62.14 H new ATOM 0 HG3 ARG A 28 3.234 -10.508 65.916 1.00 62.14 H new ATOM 0 HD2 ARG A 28 5.337 -11.453 67.934 1.00 71.02 H new ATOM 0 HD3 ARG A 28 3.626 -11.278 68.271 1.00 71.02 H new ATOM 0 HE ARG A 28 3.516 -12.959 66.135 1.00 31.13 H new ATOM 0 HH11 ARG A 28 5.588 -12.876 68.974 1.00 41.20 H new ATOM 0 HH12 ARG A 28 5.801 -14.630 69.025 1.00 41.20 H new ATOM 0 HH21 ARG A 28 3.798 -15.207 66.218 1.00 12.35 H new ATOM 0 HH22 ARG A 28 4.797 -15.936 67.479 1.00 12.35 H new ATOM 474 N ASN A 29 6.997 -8.208 65.044 1.00 24.15 N ATOM 475 CA ASN A 29 7.485 -6.950 65.588 1.00 60.44 C ATOM 476 C ASN A 29 7.192 -5.761 64.690 1.00 75.34 C ATOM 477 O ASN A 29 6.918 -4.665 65.177 1.00 70.51 O ATOM 478 CB ASN A 29 8.980 -7.004 65.874 1.00 73.24 C ATOM 479 CG ASN A 29 9.369 -5.724 66.603 1.00 64.23 C ATOM 480 OD1 ASN A 29 10.020 -4.851 66.030 1.00 23.13 O ATOM 481 ND2 ASN A 29 8.961 -5.543 67.830 1.00 22.23 N ATOM 0 H ASN A 29 7.716 -8.913 64.881 1.00 24.15 H new ATOM 0 HA ASN A 29 6.941 -6.809 66.522 1.00 60.44 H new ATOM 0 HB2 ASN A 29 9.220 -7.876 66.482 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.542 -7.099 64.945 1.00 73.24 H new ATOM 0 HD21 ASN A 29 9.182 -4.675 68.318 1.00 22.23 H new ATOM 0 HD22 ASN A 29 8.422 -6.270 68.301 1.00 22.23 H new ATOM 488 N GLY A 30 7.313 -5.953 63.378 1.00 62.31 N ATOM 489 CA GLY A 30 7.115 -4.826 62.476 1.00 31.33 C ATOM 490 C GLY A 30 5.754 -4.169 62.658 1.00 73.22 C ATOM 491 O GLY A 30 5.658 -2.942 62.671 1.00 3.32 O ATOM 0 H GLY A 30 7.538 -6.842 62.931 1.00 62.31 H new ATOM 0 HA2 GLY A 30 7.898 -4.087 62.645 1.00 31.33 H new ATOM 0 HA3 GLY A 30 7.216 -5.167 61.446 1.00 31.33 H new ATOM 495 N PHE A 31 4.706 -4.966 62.835 1.00 73.50 N ATOM 496 CA PHE A 31 3.389 -4.386 63.055 1.00 73.42 C ATOM 497 C PHE A 31 3.302 -3.587 64.351 1.00 41.15 C ATOM 498 O PHE A 31 2.651 -2.544 64.395 1.00 74.33 O ATOM 499 CB PHE A 31 2.294 -5.458 63.038 1.00 34.44 C ATOM 500 CG PHE A 31 2.126 -6.009 61.642 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.308 -5.323 60.737 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.765 -7.191 61.248 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.125 -5.812 59.442 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.580 -7.684 59.947 1.00 64.45 C ATOM 505 CZ PHE A 31 1.759 -6.991 59.045 1.00 32.21 C ATOM 0 H PHE A 31 4.739 -5.985 62.831 1.00 73.50 H new ATOM 0 HA PHE A 31 3.229 -3.695 62.227 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.552 -6.263 63.726 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.352 -5.032 63.385 1.00 34.44 H new ATOM 0 HD1 PHE A 31 0.816 -4.411 61.042 1.00 60.55 H new ATOM 0 HD2 PHE A 31 3.398 -7.722 61.943 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.493 -5.278 58.747 1.00 24.35 H new ATOM 0 HE2 PHE A 31 3.070 -8.597 59.640 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.617 -7.369 58.043 1.00 32.21 H new ATOM 515 N ILE A 32 3.912 -4.097 65.422 1.00 5.31 N ATOM 516 CA ILE A 32 3.815 -3.409 66.704 1.00 13.12 C ATOM 517 C ILE A 32 4.376 -1.995 66.620 1.00 53.33 C ATOM 518 O ILE A 32 3.769 -1.044 67.114 1.00 22.52 O ATOM 519 CB ILE A 32 4.608 -4.185 67.772 1.00 3.21 C ATOM 520 CG1 ILE A 32 4.057 -5.608 67.879 1.00 51.24 C ATOM 521 CG2 ILE A 32 4.448 -3.496 69.137 1.00 2.52 C ATOM 522 CD1 ILE A 32 4.911 -6.427 68.851 1.00 12.55 C ATOM 0 H ILE A 32 4.461 -4.957 65.428 1.00 5.31 H new ATOM 0 HA ILE A 32 2.760 -3.356 66.972 1.00 13.12 H new ATOM 0 HB ILE A 32 5.660 -4.208 67.488 1.00 3.21 H new ATOM 0 HG12 ILE A 32 3.023 -5.582 68.223 1.00 51.24 H new ATOM 0 HG13 ILE A 32 4.054 -6.081 66.897 1.00 51.24 H new ATOM 0 HG21 ILE A 32 5.010 -4.047 69.891 1.00 2.52 H new ATOM 0 HG22 ILE A 32 4.826 -2.476 69.076 1.00 2.52 H new ATOM 0 HG23 ILE A 32 3.394 -3.476 69.413 1.00 2.52 H new ATOM 0 HD11 ILE A 32 4.512 -7.439 68.922 1.00 12.55 H new ATOM 0 HD12 ILE A 32 5.938 -6.466 68.489 1.00 12.55 H new ATOM 0 HD13 ILE A 32 4.891 -5.960 69.835 1.00 12.55 H new ATOM 534 N GLN A 33 5.553 -1.871 66.017 1.00 33.25 N ATOM 535 CA GLN A 33 6.200 -0.570 65.907 1.00 44.43 C ATOM 536 C GLN A 33 5.374 0.423 65.091 1.00 41.02 C ATOM 537 O GLN A 33 5.309 1.610 65.416 1.00 62.52 O ATOM 538 CB GLN A 33 7.565 -0.771 65.254 1.00 11.33 C ATOM 539 CG GLN A 33 8.426 -1.633 66.183 1.00 23.13 C ATOM 540 CD GLN A 33 9.785 -1.904 65.553 1.00 61.31 C ATOM 541 OE1 GLN A 33 9.992 -1.621 64.373 1.00 3.21 O ATOM 542 NE2 GLN A 33 10.712 -2.486 66.262 1.00 22.34 N ATOM 0 H GLN A 33 6.073 -2.644 65.602 1.00 33.25 H new ATOM 0 HA GLN A 33 6.302 -0.148 66.907 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.453 -1.255 64.284 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.045 0.191 65.077 1.00 11.33 H new ATOM 0 HG2 GLN A 33 8.557 -1.128 67.140 1.00 23.13 H new ATOM 0 HG3 GLN A 33 7.919 -2.576 66.387 1.00 23.13 H new ATOM 0 HE21 GLN A 33 10.536 -2.719 67.239 1.00 22.34 H new ATOM 0 HE22 GLN A 33 11.613 -2.709 65.839 1.00 22.34 H new ATOM 551 N SER A 34 4.748 -0.071 64.025 1.00 11.43 N ATOM 552 CA SER A 34 3.936 0.784 63.170 1.00 62.44 C ATOM 553 C SER A 34 2.779 1.413 63.930 1.00 44.14 C ATOM 554 O SER A 34 2.419 2.567 63.692 1.00 31.42 O ATOM 555 CB SER A 34 3.391 -0.030 61.997 1.00 73.44 C ATOM 556 OG SER A 34 4.472 -0.652 61.316 1.00 55.11 O ATOM 0 H SER A 34 4.788 -1.049 63.737 1.00 11.43 H new ATOM 0 HA SER A 34 4.575 1.589 62.806 1.00 62.44 H new ATOM 0 HB2 SER A 34 2.690 -0.784 62.357 1.00 73.44 H new ATOM 0 HB3 SER A 34 2.840 0.617 61.315 1.00 73.44 H new ATOM 0 HG SER A 34 4.751 -1.453 61.808 1.00 55.11 H new ATOM 562 N LEU A 35 2.191 0.641 64.835 1.00 61.32 N ATOM 563 CA LEU A 35 1.063 1.133 65.609 1.00 34.02 C ATOM 564 C LEU A 35 1.458 2.349 66.427 1.00 42.43 C ATOM 565 O LEU A 35 0.686 3.299 66.560 1.00 22.40 O ATOM 566 CB LEU A 35 0.567 0.000 66.526 1.00 22.42 C ATOM 567 CG LEU A 35 -0.780 0.366 67.206 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.561 -0.919 67.518 1.00 32.21 C ATOM 569 CD2 LEU A 35 -0.551 1.123 68.532 1.00 41.21 C ATOM 0 H LEU A 35 2.473 -0.316 65.048 1.00 61.32 H new ATOM 0 HA LEU A 35 0.263 1.439 64.935 1.00 34.02 H new ATOM 0 HB2 LEU A 35 0.445 -0.914 65.944 1.00 22.42 H new ATOM 0 HB3 LEU A 35 1.317 -0.206 67.290 1.00 22.42 H new ATOM 0 HG LEU A 35 -1.337 1.005 66.521 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.507 -0.663 67.995 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.757 -1.460 66.592 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -0.975 -1.547 68.188 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -1.513 1.365 68.984 1.00 41.21 H new ATOM 0 HD22 LEU A 35 0.023 0.496 69.214 1.00 41.21 H new ATOM 0 HD23 LEU A 35 -0.001 2.043 68.335 1.00 41.21 H new ATOM 581 N LYS A 36 2.665 2.315 66.976 1.00 14.21 N ATOM 582 CA LYS A 36 3.138 3.421 67.791 1.00 33.34 C ATOM 583 C LYS A 36 3.178 4.726 66.997 1.00 11.12 C ATOM 584 O LYS A 36 2.813 5.783 67.513 1.00 20.33 O ATOM 585 CB LYS A 36 4.548 3.076 68.304 1.00 73.11 C ATOM 586 CG LYS A 36 5.095 4.138 69.278 1.00 31.42 C ATOM 587 CD LYS A 36 4.428 4.007 70.656 1.00 4.15 C ATOM 588 CE LYS A 36 5.091 4.975 71.643 1.00 25.42 C ATOM 589 NZ LYS A 36 4.182 5.199 72.803 1.00 71.12 N ATOM 0 H LYS A 36 3.325 1.544 66.873 1.00 14.21 H new ATOM 0 HA LYS A 36 2.451 3.567 68.624 1.00 33.34 H new ATOM 0 HB2 LYS A 36 4.523 2.107 68.803 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.227 2.980 67.456 1.00 73.11 H new ATOM 0 HG2 LYS A 36 6.174 4.024 69.379 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.916 5.135 68.875 1.00 31.42 H new ATOM 0 HD2 LYS A 36 3.363 4.225 70.578 1.00 4.15 H new ATOM 0 HD3 LYS A 36 4.518 2.983 71.019 1.00 4.15 H new ATOM 0 HE2 LYS A 36 6.042 4.568 71.986 1.00 25.42 H new ATOM 0 HE3 LYS A 36 5.309 5.922 71.150 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 3.891 6.197 72.828 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 3.341 4.595 72.706 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 4.679 4.961 73.685 1.00 71.12 H new ATOM 603 N ASP A 37 3.640 4.654 65.748 1.00 24.34 N ATOM 604 CA ASP A 37 3.734 5.859 64.926 1.00 34.10 C ATOM 605 C ASP A 37 2.381 6.538 64.709 1.00 0.00 C ATOM 606 O ASP A 37 2.277 7.763 64.757 1.00 4.30 O ATOM 607 CB ASP A 37 4.328 5.484 63.566 1.00 73.02 C ATOM 608 CG ASP A 37 4.661 6.745 62.776 1.00 31.53 C ATOM 609 OD1 ASP A 37 4.512 7.823 63.326 1.00 40.14 O ATOM 610 OD2 ASP A 37 5.064 6.614 61.631 1.00 72.31 O ATOM 0 H ASP A 37 3.948 3.795 65.292 1.00 24.34 H new ATOM 0 HA ASP A 37 4.370 6.568 65.456 1.00 34.10 H new ATOM 0 HB2 ASP A 37 5.228 4.885 63.706 1.00 73.02 H new ATOM 0 HB3 ASP A 37 3.620 4.871 63.007 1.00 73.02 H new ATOM 615 N ASP A 38 1.345 5.730 64.466 1.00 14.53 N ATOM 616 CA ASP A 38 -0.011 6.249 64.236 1.00 52.01 C ATOM 617 C ASP A 38 -1.061 5.442 65.002 1.00 55.12 C ATOM 618 O ASP A 38 -1.749 4.629 64.384 1.00 54.45 O ATOM 619 CB ASP A 38 -0.330 6.191 62.744 1.00 64.33 C ATOM 620 CG ASP A 38 -1.584 7.009 62.456 1.00 75.33 C ATOM 621 OD1 ASP A 38 -2.504 6.943 63.255 1.00 43.15 O ATOM 622 OD2 ASP A 38 -1.603 7.692 61.447 1.00 43.12 O ATOM 0 H ASP A 38 1.417 4.713 64.423 1.00 14.53 H new ATOM 0 HA ASP A 38 -0.041 7.278 64.594 1.00 52.01 H new ATOM 0 HB2 ASP A 38 0.510 6.579 62.167 1.00 64.33 H new ATOM 0 HB3 ASP A 38 -0.479 5.157 62.434 1.00 64.33 H new ATOM 627 N PRO A 39 -1.222 5.588 66.291 1.00 2.35 N ATOM 628 CA PRO A 39 -2.238 4.766 67.011 1.00 63.52 C ATOM 629 C PRO A 39 -3.655 4.958 66.447 1.00 2.21 C ATOM 630 O PRO A 39 -4.462 4.029 66.467 1.00 61.23 O ATOM 631 CB PRO A 39 -2.129 5.242 68.477 1.00 53.14 C ATOM 632 CG PRO A 39 -1.432 6.569 68.412 1.00 51.34 C ATOM 633 CD PRO A 39 -0.509 6.507 67.195 1.00 64.23 C ATOM 0 HA PRO A 39 -2.053 3.697 66.903 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -3.114 5.337 68.934 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.565 4.531 69.081 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -2.151 7.382 68.314 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.863 6.755 69.323 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.368 7.489 66.744 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.480 6.131 67.456 1.00 64.23 H new ATOM 641 N SER A 40 -3.949 6.153 65.929 1.00 4.33 N ATOM 642 CA SER A 40 -5.269 6.411 65.352 1.00 13.21 C ATOM 643 C SER A 40 -5.554 5.466 64.185 1.00 51.10 C ATOM 644 O SER A 40 -6.682 5.015 63.988 1.00 32.13 O ATOM 645 CB SER A 40 -5.351 7.858 64.867 1.00 51.14 C ATOM 646 OG SER A 40 -6.685 8.146 64.467 1.00 23.14 O ATOM 0 H SER A 40 -3.304 6.943 65.897 1.00 4.33 H new ATOM 0 HA SER A 40 -6.016 6.239 66.127 1.00 13.21 H new ATOM 0 HB2 SER A 40 -5.043 8.538 65.661 1.00 51.14 H new ATOM 0 HB3 SER A 40 -4.668 8.013 64.032 1.00 51.14 H new ATOM 0 HG SER A 40 -6.740 9.074 64.157 1.00 23.14 H new ATOM 652 N GLN A 41 -4.505 5.187 63.414 1.00 64.11 N ATOM 653 CA GLN A 41 -4.586 4.305 62.245 1.00 21.21 C ATOM 654 C GLN A 41 -4.375 2.842 62.576 1.00 63.34 C ATOM 655 O GLN A 41 -4.182 2.031 61.671 1.00 64.12 O ATOM 656 CB GLN A 41 -3.623 4.749 61.148 1.00 4.21 C ATOM 657 CG GLN A 41 -4.043 6.130 60.652 1.00 53.11 C ATOM 658 CD GLN A 41 -3.087 6.620 59.577 1.00 73.40 C ATOM 659 OE1 GLN A 41 -1.938 6.185 59.514 1.00 23.22 O ATOM 660 NE2 GLN A 41 -3.527 7.457 58.681 1.00 31.31 N ATOM 0 H GLN A 41 -3.572 5.565 63.580 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.608 4.396 61.878 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -2.603 4.780 61.531 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -3.633 4.034 60.325 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -5.057 6.088 60.254 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -4.056 6.834 61.484 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -4.481 7.813 58.741 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -2.917 7.756 57.920 1.00 31.31 H new ATOM 669 N SER A 42 -4.375 2.488 63.848 1.00 22.41 N ATOM 670 CA SER A 42 -4.138 1.098 64.193 1.00 32.10 C ATOM 671 C SER A 42 -5.178 0.224 63.520 1.00 23.14 C ATOM 672 O SER A 42 -4.890 -0.918 63.161 1.00 21.14 O ATOM 673 CB SER A 42 -4.220 0.915 65.706 1.00 2.01 C ATOM 674 OG SER A 42 -5.561 1.114 66.126 1.00 23.11 O ATOM 0 H SER A 42 -4.530 3.118 64.635 1.00 22.41 H new ATOM 0 HA SER A 42 -3.144 0.810 63.852 1.00 32.10 H new ATOM 0 HB2 SER A 42 -3.884 -0.084 65.983 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.560 1.623 66.207 1.00 2.01 H new ATOM 0 HG SER A 42 -5.841 0.365 66.693 1.00 23.11 H new ATOM 680 N ALA A 43 -6.374 0.760 63.301 1.00 65.21 N ATOM 681 CA ALA A 43 -7.385 -0.021 62.615 1.00 63.33 C ATOM 682 C ALA A 43 -6.935 -0.317 61.184 1.00 54.34 C ATOM 683 O ALA A 43 -7.091 -1.434 60.684 1.00 22.33 O ATOM 684 CB ALA A 43 -8.690 0.771 62.565 1.00 1.04 C ATOM 0 H ALA A 43 -6.657 1.700 63.579 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.534 -0.958 63.152 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.451 0.186 62.050 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.024 0.987 63.580 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.528 1.706 62.030 1.00 1.04 H new ATOM 690 N ASN A 44 -6.353 0.693 60.531 1.00 0.42 N ATOM 691 CA ASN A 44 -5.869 0.511 59.169 1.00 64.12 C ATOM 692 C ASN A 44 -4.812 -0.583 59.109 1.00 64.33 C ATOM 693 O ASN A 44 -4.765 -1.373 58.168 1.00 73.11 O ATOM 694 CB ASN A 44 -5.266 1.823 58.660 1.00 33.42 C ATOM 695 CG ASN A 44 -6.322 2.927 58.640 1.00 41.31 C ATOM 696 OD1 ASN A 44 -7.476 2.679 58.287 1.00 74.23 O ATOM 697 ND2 ASN A 44 -5.995 4.131 59.029 1.00 54.12 N ATOM 0 H ASN A 44 -6.209 1.626 60.918 1.00 0.42 H new ATOM 0 HA ASN A 44 -6.711 0.218 58.542 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -4.434 2.119 59.299 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -4.863 1.680 57.658 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -6.697 4.871 59.041 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -5.038 4.331 59.320 1.00 54.12 H new ATOM 704 N LEU A 45 -3.966 -0.618 60.139 1.00 41.32 N ATOM 705 CA LEU A 45 -2.909 -1.616 60.221 1.00 63.54 C ATOM 706 C LEU A 45 -3.490 -3.016 60.309 1.00 61.15 C ATOM 707 O LEU A 45 -2.913 -3.977 59.799 1.00 54.24 O ATOM 708 CB LEU A 45 -2.031 -1.360 61.456 1.00 51.25 C ATOM 709 CG LEU A 45 -1.420 0.051 61.414 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.466 0.217 62.602 1.00 1.03 C ATOM 711 CD2 LEU A 45 -0.642 0.265 60.102 1.00 11.44 C ATOM 0 H LEU A 45 -3.995 0.033 60.924 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.306 -1.537 59.317 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.627 -1.475 62.361 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.235 -2.104 61.502 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.222 0.787 61.468 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.028 1.215 62.580 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.017 0.083 63.533 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.327 -0.529 62.539 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.217 1.269 60.091 1.00 11.44 H new ATOM 0 HD22 LEU A 45 0.160 -0.470 60.031 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.318 0.147 59.255 1.00 11.44 H new ATOM 723 N LEU A 46 -4.615 -3.126 61.002 1.00 71.41 N ATOM 724 CA LEU A 46 -5.241 -4.420 61.199 1.00 61.10 C ATOM 725 C LEU A 46 -5.570 -5.079 59.868 1.00 31.50 C ATOM 726 O LEU A 46 -5.380 -6.284 59.702 1.00 54.02 O ATOM 727 CB LEU A 46 -6.538 -4.184 61.990 1.00 60.53 C ATOM 728 CG LEU A 46 -7.166 -5.520 62.476 1.00 44.45 C ATOM 729 CD1 LEU A 46 -8.055 -5.262 63.706 1.00 64.30 C ATOM 730 CD2 LEU A 46 -8.036 -6.167 61.371 1.00 0.20 C ATOM 0 H LEU A 46 -5.106 -2.342 61.432 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.561 -5.082 61.736 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -6.329 -3.546 62.849 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -7.254 -3.652 61.364 1.00 60.53 H new ATOM 0 HG LEU A 46 -6.349 -6.196 62.729 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -8.493 -6.202 64.042 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -7.452 -4.835 64.508 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -8.851 -4.566 63.440 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.461 -7.100 61.742 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -8.841 -5.485 61.096 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -7.419 -6.372 60.496 1.00 0.20 H new ATOM 742 N ALA A 47 -6.047 -4.290 58.913 1.00 34.35 N ATOM 743 CA ALA A 47 -6.385 -4.850 57.611 1.00 53.05 C ATOM 744 C ALA A 47 -5.163 -5.369 56.854 1.00 12.35 C ATOM 745 O ALA A 47 -5.227 -6.414 56.207 1.00 23.24 O ATOM 746 CB ALA A 47 -7.086 -3.789 56.764 1.00 33.42 C ATOM 0 H ALA A 47 -6.205 -3.287 59.010 1.00 34.35 H new ATOM 0 HA ALA A 47 -7.044 -5.700 57.790 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.338 -4.209 55.790 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -7.997 -3.466 57.267 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.423 -2.934 56.630 1.00 33.42 H new ATOM 752 N GLU A 48 -4.058 -4.626 56.913 1.00 4.11 N ATOM 753 CA GLU A 48 -2.853 -5.029 56.198 1.00 71.31 C ATOM 754 C GLU A 48 -2.250 -6.324 56.728 1.00 53.14 C ATOM 755 O GLU A 48 -1.706 -7.117 55.959 1.00 1.34 O ATOM 756 CB GLU A 48 -1.804 -3.913 56.291 1.00 1.10 C ATOM 757 CG GLU A 48 -2.286 -2.651 55.559 1.00 43.35 C ATOM 758 CD GLU A 48 -2.493 -2.923 54.069 1.00 0.13 C ATOM 759 OE1 GLU A 48 -1.972 -3.914 53.585 1.00 1.25 O ATOM 760 OE2 GLU A 48 -3.172 -2.133 53.435 1.00 22.11 O ATOM 0 H GLU A 48 -3.974 -3.757 57.440 1.00 4.11 H new ATOM 0 HA GLU A 48 -3.144 -5.206 55.163 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -1.606 -3.679 57.337 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -0.864 -4.254 55.857 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -3.220 -2.305 56.002 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -1.557 -1.851 55.688 1.00 43.35 H new ATOM 767 N ALA A 49 -2.309 -6.529 58.043 1.00 33.23 N ATOM 768 CA ALA A 49 -1.713 -7.731 58.610 1.00 2.00 C ATOM 769 C ALA A 49 -2.421 -8.996 58.151 1.00 71.01 C ATOM 770 O ALA A 49 -1.775 -9.991 57.826 1.00 35.52 O ATOM 771 CB ALA A 49 -1.755 -7.655 60.136 1.00 23.43 C ATOM 0 H ALA A 49 -2.749 -5.900 58.715 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.682 -7.780 58.259 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -1.308 -8.556 60.558 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -1.197 -6.781 60.472 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -2.790 -7.574 60.468 1.00 23.43 H new ATOM 777 N LYS A 50 -3.749 -8.959 58.121 1.00 4.25 N ATOM 778 CA LYS A 50 -4.500 -10.127 57.689 1.00 23.31 C ATOM 779 C LYS A 50 -4.159 -10.503 56.254 1.00 72.12 C ATOM 780 O LYS A 50 -4.017 -11.681 55.923 1.00 75.31 O ATOM 781 CB LYS A 50 -6.002 -9.848 57.812 1.00 25.20 C ATOM 782 CG LYS A 50 -6.799 -11.119 57.501 1.00 15.54 C ATOM 783 CD LYS A 50 -8.297 -10.806 57.572 1.00 73.13 C ATOM 784 CE LYS A 50 -9.105 -12.098 57.417 1.00 33.33 C ATOM 785 NZ LYS A 50 -10.507 -11.861 57.867 1.00 30.21 N ATOM 0 H LYS A 50 -4.315 -8.152 58.384 1.00 4.25 H new ATOM 0 HA LYS A 50 -4.228 -10.965 58.331 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -6.234 -9.501 58.819 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -6.290 -9.052 57.126 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -6.540 -11.491 56.510 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.546 -11.905 58.213 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.534 -10.330 58.524 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.568 -10.100 56.787 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -9.095 -12.424 56.377 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.652 -12.896 58.005 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -11.058 -12.737 57.763 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -10.507 -11.569 58.865 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -10.936 -11.111 57.287 1.00 30.21 H new ATOM 799 N LYS A 51 -4.048 -9.486 55.401 1.00 23.43 N ATOM 800 CA LYS A 51 -3.747 -9.717 53.995 1.00 54.50 C ATOM 801 C LYS A 51 -2.404 -10.416 53.799 1.00 75.32 C ATOM 802 O LYS A 51 -2.285 -11.332 52.986 1.00 61.01 O ATOM 803 CB LYS A 51 -3.738 -8.366 53.276 1.00 24.15 C ATOM 804 CG LYS A 51 -3.573 -8.558 51.769 1.00 5.50 C ATOM 805 CD LYS A 51 -3.507 -7.184 51.101 1.00 53.11 C ATOM 806 CE LYS A 51 -3.515 -7.344 49.583 1.00 31.35 C ATOM 807 NZ LYS A 51 -2.418 -8.263 49.170 1.00 54.42 N ATOM 0 H LYS A 51 -4.161 -8.505 55.658 1.00 23.43 H new ATOM 0 HA LYS A 51 -4.512 -10.374 53.581 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -4.667 -7.833 53.480 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -2.926 -7.749 53.660 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -2.666 -9.124 51.558 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -4.408 -9.133 51.368 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -4.355 -6.576 51.416 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -2.604 -6.660 51.416 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -4.476 -7.739 49.254 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -3.389 -6.373 49.104 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -2.259 -8.176 48.146 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -1.546 -8.013 49.678 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -2.682 -9.243 49.397 1.00 54.42 H new ATOM 821 N LEU A 52 -1.396 -9.980 54.552 1.00 14.24 N ATOM 822 CA LEU A 52 -0.071 -10.579 54.448 1.00 55.12 C ATOM 823 C LEU A 52 -0.103 -12.051 54.831 1.00 73.34 C ATOM 824 O LEU A 52 0.603 -12.875 54.250 1.00 73.02 O ATOM 825 CB LEU A 52 0.924 -9.815 55.337 1.00 71.21 C ATOM 826 CG LEU A 52 2.357 -10.362 55.149 1.00 72.12 C ATOM 827 CD1 LEU A 52 2.898 -9.976 53.759 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.274 -9.762 56.226 1.00 45.20 C ATOM 0 H LEU A 52 -1.471 -9.224 55.232 1.00 14.24 H new ATOM 0 HA LEU A 52 0.255 -10.510 53.410 1.00 55.12 H new ATOM 0 HB2 LEU A 52 0.899 -8.754 55.090 1.00 71.21 H new ATOM 0 HB3 LEU A 52 0.629 -9.906 56.382 1.00 71.21 H new ATOM 0 HG LEU A 52 2.334 -11.448 55.236 1.00 72.12 H new ATOM 0 HD11 LEU A 52 3.908 -10.368 53.640 1.00 53.43 H new ATOM 0 HD12 LEU A 52 2.253 -10.396 52.988 1.00 53.43 H new ATOM 0 HD13 LEU A 52 2.916 -8.890 53.664 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.286 -10.145 56.097 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.283 -8.676 56.133 1.00 45.20 H new ATOM 0 HD23 LEU A 52 2.905 -10.038 57.214 1.00 45.20 H new ATOM 840 N ASN A 53 -0.903 -12.363 55.845 1.00 30.55 N ATOM 841 CA ASN A 53 -0.994 -13.728 56.339 1.00 12.22 C ATOM 842 C ASN A 53 -1.384 -14.708 55.241 1.00 20.35 C ATOM 843 O ASN A 53 -0.874 -15.829 55.189 1.00 22.15 O ATOM 844 CB ASN A 53 -2.036 -13.786 57.457 1.00 4.55 C ATOM 845 CG ASN A 53 -2.023 -15.156 58.124 1.00 21.40 C ATOM 846 OD1 ASN A 53 -2.912 -15.973 57.885 1.00 11.02 O ATOM 847 ND2 ASN A 53 -1.071 -15.450 58.964 1.00 12.51 N ATOM 0 H ASN A 53 -1.494 -11.692 56.337 1.00 30.55 H new ATOM 0 HA ASN A 53 -0.011 -14.017 56.710 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.829 -13.012 58.196 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -3.027 -13.582 57.051 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -1.061 -16.359 59.426 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -0.336 -14.771 59.160 1.00 12.51 H new ATOM 854 N ASP A 54 -2.304 -14.291 54.377 1.00 50.01 N ATOM 855 CA ASP A 54 -2.755 -15.161 53.300 1.00 62.34 C ATOM 856 C ASP A 54 -1.615 -15.589 52.379 1.00 11.11 C ATOM 857 O ASP A 54 -1.575 -16.734 51.929 1.00 73.25 O ATOM 858 CB ASP A 54 -3.828 -14.446 52.479 1.00 11.40 C ATOM 859 CG ASP A 54 -4.465 -15.420 51.493 1.00 5.23 C ATOM 860 OD1 ASP A 54 -4.129 -16.591 51.548 1.00 12.01 O ATOM 861 OD2 ASP A 54 -5.277 -14.979 50.696 1.00 44.54 O ATOM 0 H ASP A 54 -2.745 -13.372 54.401 1.00 50.01 H new ATOM 0 HA ASP A 54 -3.162 -16.062 53.760 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -4.590 -14.035 53.141 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -3.387 -13.607 51.941 1.00 11.40 H new ATOM 866 N ALA A 55 -0.697 -14.666 52.079 1.00 63.33 N ATOM 867 CA ALA A 55 0.409 -14.998 51.185 1.00 75.40 C ATOM 868 C ALA A 55 1.339 -16.049 51.782 1.00 54.24 C ATOM 869 O ALA A 55 1.794 -16.953 51.085 1.00 42.04 O ATOM 870 CB ALA A 55 1.211 -13.735 50.865 1.00 14.55 C ATOM 0 H ALA A 55 -0.697 -13.709 52.432 1.00 63.33 H new ATOM 0 HA ALA A 55 -0.022 -15.415 50.275 1.00 75.40 H new ATOM 0 HB1 ALA A 55 2.035 -13.987 50.198 1.00 14.55 H new ATOM 0 HB2 ALA A 55 0.562 -13.005 50.381 1.00 14.55 H new ATOM 0 HB3 ALA A 55 1.608 -13.312 51.788 1.00 14.55 H new ATOM 876 N GLN A 56 1.617 -15.927 53.077 1.00 13.12 N ATOM 877 CA GLN A 56 2.491 -16.886 53.743 1.00 70.45 C ATOM 878 C GLN A 56 1.912 -18.295 53.658 1.00 74.21 C ATOM 879 O GLN A 56 2.638 -19.274 53.495 1.00 61.33 O ATOM 880 CB GLN A 56 2.698 -16.472 55.201 1.00 75.40 C ATOM 881 CG GLN A 56 3.772 -17.355 55.846 1.00 42.42 C ATOM 882 CD GLN A 56 5.145 -16.987 55.298 1.00 1.22 C ATOM 883 OE1 GLN A 56 5.617 -15.867 55.496 1.00 75.44 O ATOM 884 NE2 GLN A 56 5.821 -17.872 54.616 1.00 25.51 N ATOM 0 H GLN A 56 1.256 -15.186 53.678 1.00 13.12 H new ATOM 0 HA GLN A 56 3.457 -16.891 53.238 1.00 70.45 H new ATOM 0 HB2 GLN A 56 2.997 -15.425 55.252 1.00 75.40 H new ATOM 0 HB3 GLN A 56 1.761 -16.563 55.751 1.00 75.40 H new ATOM 0 HG2 GLN A 56 3.757 -17.228 56.929 1.00 42.42 H new ATOM 0 HG3 GLN A 56 3.560 -18.405 55.645 1.00 42.42 H new ATOM 0 HE21 GLN A 56 5.428 -18.799 54.453 1.00 25.51 H new ATOM 0 HE22 GLN A 56 6.742 -17.636 54.246 1.00 25.51 H new ATOM 893 N ALA A 57 0.589 -18.375 53.788 1.00 41.45 N ATOM 894 CA ALA A 57 -0.133 -19.648 53.748 1.00 3.34 C ATOM 895 C ALA A 57 -1.266 -19.600 52.729 1.00 45.42 C ATOM 896 O ALA A 57 -2.417 -19.398 53.111 1.00 70.24 O ATOM 897 CB ALA A 57 -0.728 -19.951 55.113 1.00 15.43 C ATOM 0 H ALA A 57 -0.012 -17.562 53.924 1.00 41.45 H new ATOM 0 HA ALA A 57 0.577 -20.424 53.463 1.00 3.34 H new ATOM 0 HB1 ALA A 57 -1.263 -20.900 55.074 1.00 15.43 H new ATOM 0 HB2 ALA A 57 0.071 -20.015 55.852 1.00 15.43 H new ATOM 0 HB3 ALA A 57 -1.419 -19.156 55.393 1.00 15.43 H new ATOM 903 N PRO A 58 -1.004 -19.757 51.461 1.00 72.22 N ATOM 904 CA PRO A 58 -2.089 -19.704 50.448 1.00 5.45 C ATOM 905 C PRO A 58 -3.179 -20.732 50.757 1.00 32.31 C ATOM 906 O PRO A 58 -4.285 -20.653 50.222 1.00 74.14 O ATOM 907 CB PRO A 58 -1.384 -19.977 49.100 1.00 52.14 C ATOM 908 CG PRO A 58 -0.048 -20.557 49.454 1.00 51.21 C ATOM 909 CD PRO A 58 0.314 -20.005 50.834 1.00 1.22 C ATOM 0 HA PRO A 58 -2.604 -18.743 50.435 1.00 5.45 H new ATOM 0 HB2 PRO A 58 -1.962 -20.670 48.488 1.00 52.14 H new ATOM 0 HB3 PRO A 58 -1.272 -19.059 48.523 1.00 52.14 H new ATOM 0 HG2 PRO A 58 -0.090 -21.646 49.471 1.00 51.21 H new ATOM 0 HG3 PRO A 58 0.704 -20.278 48.715 1.00 51.21 H new ATOM 0 HD2 PRO A 58 0.905 -20.718 51.409 1.00 1.22 H new ATOM 0 HD3 PRO A 58 0.902 -19.090 50.759 1.00 1.22 H new ATOM 917 N LYS A 59 -2.850 -21.712 51.609 1.00 51.24 N ATOM 918 CA LYS A 59 -3.807 -22.768 51.960 1.00 3.44 C ATOM 919 C LYS A 59 -4.637 -23.187 50.748 1.00 22.42 C ATOM 920 O LYS A 59 -4.051 -23.405 49.700 1.00 61.53 O ATOM 921 CB LYS A 59 -4.742 -22.314 53.084 1.00 35.24 C ATOM 922 CG LYS A 59 -3.942 -22.080 54.367 1.00 25.14 C ATOM 923 CD LYS A 59 -4.903 -21.742 55.510 1.00 31.13 C ATOM 924 CE LYS A 59 -4.104 -21.395 56.767 1.00 53.14 C ATOM 925 NZ LYS A 59 -5.007 -20.761 57.768 1.00 14.35 N ATOM 926 OXT LYS A 59 -5.845 -23.282 50.887 1.00 61.53 O ATOM 0 H LYS A 59 -1.940 -21.795 52.063 1.00 51.24 H new ATOM 0 HA LYS A 59 -3.227 -23.624 52.304 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -5.255 -21.397 52.793 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -5.510 -23.068 53.257 1.00 35.24 H new ATOM 0 HG2 LYS A 59 -3.363 -22.969 54.615 1.00 25.14 H new ATOM 0 HG3 LYS A 59 -3.231 -21.267 54.222 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -5.539 -20.903 55.228 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -5.561 -22.588 55.707 1.00 31.13 H new ATOM 0 HE2 LYS A 59 -3.654 -22.295 57.185 1.00 53.14 H new ATOM 0 HE3 LYS A 59 -3.288 -20.718 56.517 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 -4.465 -20.524 58.624 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 -5.416 -19.893 57.366 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -5.771 -21.422 58.014 1.00 14.35 H new TER 940 LYS A 59