USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 840 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 90 TYR OH : rot -107:sc= 0.767 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= 0.517 F(o=0.29,f=1.3) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.119 USER MOD Set 2.2: A 85 THR OG1 : rot -94:sc= 0.0949 USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= 0.146 F(o=-1.6!,f=0.2) USER MOD Set 3.2: A 23 THR OG1 : rot 10:sc= 0.0493 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.33) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.657 F(o=-1.6!,f=-0.66) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= 0.353 (180deg=-0.061) USER MOD Single : A 28 GLN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 32 ASN : amide:sc=-0.000856 X(o=-0.00086,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 58:sc= 0.00509 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 46 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-1) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.0462 (180deg=-0.287) USER MOD Single : A 53 GLN : amide:sc= -0.614 K(o=-0.61,f=-2.6) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= -0.278 (180deg=-0.283) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 37:sc= 0.282 USER MOD Single : A 69 ASN : amide:sc= -0.0475 K(o=-0.047,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot -65:sc= 0.375 USER MOD Single : A 72 ASN : amide:sc= -2.77! C(o=-2.8!,f=-6.6!) USER MOD Single : A 74 THR OG1 : rot -89:sc= 0.267 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -13:sc= 0.11 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 157:sc= 0.13 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.152 K(o=0.15,f=-1) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 7.881 -14.212 -5.518 1.00 20.14 N ATOM 38 CA ASP A 3 8.822 -13.155 -5.074 1.00 54.13 C ATOM 39 C ASP A 3 8.129 -12.024 -4.286 1.00 5.02 C ATOM 40 O ASP A 3 7.263 -11.319 -4.810 1.00 43.23 O ATOM 41 CB ASP A 3 9.565 -12.575 -6.308 1.00 4.45 C ATOM 42 CG ASP A 3 10.434 -11.350 -5.975 1.00 72.15 C ATOM 43 OD1 ASP A 3 10.112 -10.234 -6.429 1.00 2.12 O ATOM 44 OD2 ASP A 3 11.429 -11.495 -5.242 1.00 73.34 O ATOM 0 HA ASP A 3 9.533 -13.618 -4.389 1.00 54.13 H new ATOM 0 HB2 ASP A 3 10.195 -13.351 -6.742 1.00 4.45 H new ATOM 0 HB3 ASP A 3 8.833 -12.297 -7.067 1.00 4.45 H new ATOM 49 N ILE A 4 8.562 -11.869 -3.031 1.00 4.53 N ATOM 50 CA ILE A 4 7.971 -10.948 -2.052 1.00 53.45 C ATOM 51 C ILE A 4 8.306 -9.469 -2.372 1.00 53.42 C ATOM 52 O ILE A 4 7.510 -8.578 -2.071 1.00 75.53 O ATOM 53 CB ILE A 4 8.450 -11.333 -0.594 1.00 30.44 C ATOM 54 CG1 ILE A 4 7.992 -12.785 -0.217 1.00 11.14 C ATOM 55 CG2 ILE A 4 7.971 -10.318 0.464 1.00 33.35 C ATOM 56 CD1 ILE A 4 6.480 -13.019 -0.232 1.00 15.41 C ATOM 0 H ILE A 4 9.353 -12.393 -2.657 1.00 4.53 H new ATOM 0 HA ILE A 4 6.887 -11.046 -2.109 1.00 53.45 H new ATOM 0 HB ILE A 4 9.540 -11.304 -0.600 1.00 30.44 H new ATOM 0 HG12 ILE A 4 8.458 -13.486 -0.909 1.00 11.14 H new ATOM 0 HG13 ILE A 4 8.369 -13.020 0.778 1.00 11.14 H new ATOM 0 HG21 ILE A 4 8.324 -10.625 1.449 1.00 33.35 H new ATOM 0 HG22 ILE A 4 8.368 -9.331 0.227 1.00 33.35 H new ATOM 0 HG23 ILE A 4 6.882 -10.280 0.465 1.00 33.35 H new ATOM 0 HD11 ILE A 4 6.269 -14.053 0.042 1.00 15.41 H new ATOM 0 HD12 ILE A 4 6.001 -12.349 0.482 1.00 15.41 H new ATOM 0 HD13 ILE A 4 6.091 -12.822 -1.231 1.00 15.41 H new ATOM 68 N VAL A 5 9.469 -9.231 -3.010 1.00 52.24 N ATOM 69 CA VAL A 5 9.961 -7.869 -3.313 1.00 13.22 C ATOM 70 C VAL A 5 8.979 -7.129 -4.255 1.00 15.51 C ATOM 71 O VAL A 5 8.453 -6.063 -3.913 1.00 71.02 O ATOM 72 CB VAL A 5 11.402 -7.918 -3.954 1.00 22.40 C ATOM 73 CG1 VAL A 5 11.943 -6.502 -4.254 1.00 63.20 C ATOM 74 CG2 VAL A 5 12.382 -8.698 -3.052 1.00 1.51 C ATOM 0 H VAL A 5 10.092 -9.973 -3.329 1.00 52.24 H new ATOM 0 HA VAL A 5 10.023 -7.319 -2.374 1.00 13.22 H new ATOM 0 HB VAL A 5 11.316 -8.445 -4.904 1.00 22.40 H new ATOM 0 HG11 VAL A 5 12.937 -6.578 -4.694 1.00 63.20 H new ATOM 0 HG12 VAL A 5 11.275 -5.997 -4.952 1.00 63.20 H new ATOM 0 HG13 VAL A 5 11.999 -5.930 -3.328 1.00 63.20 H new ATOM 0 HG21 VAL A 5 13.368 -8.717 -3.517 1.00 1.51 H new ATOM 0 HG22 VAL A 5 12.449 -8.210 -2.080 1.00 1.51 H new ATOM 0 HG23 VAL A 5 12.023 -9.719 -2.922 1.00 1.51 H new ATOM 84 N GLU A 6 8.710 -7.744 -5.420 1.00 12.34 N ATOM 85 CA GLU A 6 7.797 -7.189 -6.436 1.00 53.15 C ATOM 86 C GLU A 6 6.335 -7.282 -5.966 1.00 52.35 C ATOM 87 O GLU A 6 5.536 -6.384 -6.254 1.00 2.12 O ATOM 88 CB GLU A 6 7.977 -7.913 -7.796 1.00 61.52 C ATOM 89 CG GLU A 6 7.115 -7.341 -8.937 1.00 12.55 C ATOM 90 CD GLU A 6 7.266 -8.106 -10.256 1.00 3.23 C ATOM 91 OE1 GLU A 6 8.139 -7.743 -11.067 1.00 50.11 O ATOM 92 OE2 GLU A 6 6.509 -9.072 -10.484 1.00 2.43 O ATOM 0 H GLU A 6 9.119 -8.640 -5.684 1.00 12.34 H new ATOM 0 HA GLU A 6 8.047 -6.137 -6.573 1.00 53.15 H new ATOM 0 HB2 GLU A 6 9.026 -7.859 -8.087 1.00 61.52 H new ATOM 0 HB3 GLU A 6 7.735 -8.968 -7.668 1.00 61.52 H new ATOM 0 HG2 GLU A 6 6.068 -7.357 -8.634 1.00 12.55 H new ATOM 0 HG3 GLU A 6 7.385 -6.297 -9.098 1.00 12.55 H new ATOM 99 N ALA A 7 6.008 -8.364 -5.219 1.00 14.32 N ATOM 100 CA ALA A 7 4.661 -8.564 -4.650 1.00 10.14 C ATOM 101 C ALA A 7 4.272 -7.372 -3.756 1.00 72.12 C ATOM 102 O ALA A 7 3.239 -6.746 -3.957 1.00 34.41 O ATOM 103 CB ALA A 7 4.589 -9.880 -3.863 1.00 0.10 C ATOM 0 H ALA A 7 6.665 -9.112 -4.998 1.00 14.32 H new ATOM 0 HA ALA A 7 3.948 -8.625 -5.473 1.00 10.14 H new ATOM 0 HB1 ALA A 7 3.587 -10.005 -3.454 1.00 0.10 H new ATOM 0 HB2 ALA A 7 4.816 -10.714 -4.527 1.00 0.10 H new ATOM 0 HB3 ALA A 7 5.313 -9.857 -3.049 1.00 0.10 H new ATOM 109 N ALA A 8 5.177 -7.020 -2.827 1.00 54.40 N ATOM 110 CA ALA A 8 4.965 -5.932 -1.856 1.00 1.35 C ATOM 111 C ALA A 8 5.007 -4.547 -2.513 1.00 55.33 C ATOM 112 O ALA A 8 4.333 -3.629 -2.047 1.00 3.02 O ATOM 113 CB ALA A 8 6.010 -6.013 -0.753 1.00 24.10 C ATOM 0 H ALA A 8 6.080 -7.484 -2.728 1.00 54.40 H new ATOM 0 HA ALA A 8 3.968 -6.062 -1.435 1.00 1.35 H new ATOM 0 HB1 ALA A 8 5.848 -5.206 -0.038 1.00 24.10 H new ATOM 0 HB2 ALA A 8 5.926 -6.972 -0.242 1.00 24.10 H new ATOM 0 HB3 ALA A 8 7.005 -5.919 -1.187 1.00 24.10 H new ATOM 119 N LYS A 9 5.825 -4.410 -3.575 1.00 23.11 N ATOM 120 CA LYS A 9 5.919 -3.168 -4.362 1.00 23.44 C ATOM 121 C LYS A 9 4.555 -2.837 -4.996 1.00 41.24 C ATOM 122 O LYS A 9 3.971 -1.787 -4.719 1.00 43.05 O ATOM 123 CB LYS A 9 7.008 -3.304 -5.467 1.00 63.33 C ATOM 124 CG LYS A 9 7.088 -2.097 -6.432 1.00 11.00 C ATOM 125 CD LYS A 9 8.086 -2.310 -7.593 1.00 64.44 C ATOM 126 CE LYS A 9 8.070 -1.149 -8.603 1.00 71.34 C ATOM 127 NZ LYS A 9 9.034 -1.371 -9.717 1.00 42.10 N ATOM 0 H LYS A 9 6.436 -5.155 -3.909 1.00 23.11 H new ATOM 0 HA LYS A 9 6.203 -2.355 -3.695 1.00 23.44 H new ATOM 0 HB2 LYS A 9 7.979 -3.438 -4.990 1.00 63.33 H new ATOM 0 HB3 LYS A 9 6.811 -4.206 -6.047 1.00 63.33 H new ATOM 0 HG2 LYS A 9 6.098 -1.903 -6.844 1.00 11.00 H new ATOM 0 HG3 LYS A 9 7.379 -1.209 -5.870 1.00 11.00 H new ATOM 0 HD2 LYS A 9 9.092 -2.421 -7.188 1.00 64.44 H new ATOM 0 HD3 LYS A 9 7.846 -3.240 -8.109 1.00 64.44 H new ATOM 0 HE2 LYS A 9 7.065 -1.035 -9.009 1.00 71.34 H new ATOM 0 HE3 LYS A 9 8.314 -0.218 -8.091 1.00 71.34 H new ATOM 0 HZ1 LYS A 9 8.994 -0.568 -10.376 1.00 42.10 H new ATOM 0 HZ2 LYS A 9 9.996 -1.455 -9.332 1.00 42.10 H new ATOM 0 HZ3 LYS A 9 8.786 -2.246 -10.222 1.00 42.10 H new ATOM 141 N GLN A 10 4.052 -3.788 -5.805 1.00 60.12 N ATOM 142 CA GLN A 10 2.775 -3.664 -6.526 1.00 14.11 C ATOM 143 C GLN A 10 1.594 -3.595 -5.551 1.00 40.14 C ATOM 144 O GLN A 10 0.578 -2.951 -5.842 1.00 14.51 O ATOM 145 CB GLN A 10 2.601 -4.849 -7.512 1.00 24.15 C ATOM 146 CG GLN A 10 3.681 -4.938 -8.610 1.00 65.14 C ATOM 147 CD GLN A 10 3.801 -3.650 -9.420 1.00 64.04 C ATOM 148 OE1 GLN A 10 4.614 -2.771 -9.121 1.00 12.23 O ATOM 149 NE2 GLN A 10 2.959 -3.510 -10.428 1.00 63.35 N ATOM 0 H GLN A 10 4.528 -4.674 -5.977 1.00 60.12 H new ATOM 0 HA GLN A 10 2.792 -2.734 -7.094 1.00 14.11 H new ATOM 0 HB2 GLN A 10 2.602 -5.779 -6.944 1.00 24.15 H new ATOM 0 HB3 GLN A 10 1.624 -4.767 -7.988 1.00 24.15 H new ATOM 0 HG2 GLN A 10 4.643 -5.165 -8.151 1.00 65.14 H new ATOM 0 HG3 GLN A 10 3.445 -5.764 -9.281 1.00 65.14 H new ATOM 0 HE21 GLN A 10 2.299 -4.256 -10.649 1.00 63.35 H new ATOM 0 HE22 GLN A 10 2.968 -2.656 -10.986 1.00 63.35 H new ATOM 158 N ALA A 11 1.764 -4.257 -4.390 1.00 74.13 N ATOM 159 CA ALA A 11 0.795 -4.222 -3.299 1.00 11.44 C ATOM 160 C ALA A 11 0.643 -2.802 -2.764 1.00 64.23 C ATOM 161 O ALA A 11 -0.465 -2.270 -2.716 1.00 61.12 O ATOM 162 CB ALA A 11 1.210 -5.173 -2.169 1.00 50.44 C ATOM 0 H ALA A 11 2.583 -4.831 -4.191 1.00 74.13 H new ATOM 0 HA ALA A 11 -0.167 -4.553 -3.691 1.00 11.44 H new ATOM 0 HB1 ALA A 11 0.473 -5.129 -1.368 1.00 50.44 H new ATOM 0 HB2 ALA A 11 1.268 -6.191 -2.553 1.00 50.44 H new ATOM 0 HB3 ALA A 11 2.184 -4.875 -1.782 1.00 50.44 H new ATOM 168 N ALA A 12 1.794 -2.189 -2.440 1.00 13.44 N ATOM 169 CA ALA A 12 1.869 -0.860 -1.828 1.00 72.44 C ATOM 170 C ALA A 12 1.220 0.222 -2.701 1.00 12.45 C ATOM 171 O ALA A 12 0.454 1.048 -2.206 1.00 64.14 O ATOM 172 CB ALA A 12 3.332 -0.511 -1.543 1.00 45.35 C ATOM 0 H ALA A 12 2.708 -2.612 -2.600 1.00 13.44 H new ATOM 0 HA ALA A 12 1.307 -0.890 -0.894 1.00 72.44 H new ATOM 0 HB1 ALA A 12 3.388 0.478 -1.088 1.00 45.35 H new ATOM 0 HB2 ALA A 12 3.756 -1.249 -0.862 1.00 45.35 H new ATOM 0 HB3 ALA A 12 3.895 -0.513 -2.476 1.00 45.35 H new ATOM 178 N ILE A 13 1.514 0.168 -4.012 1.00 62.11 N ATOM 179 CA ILE A 13 0.986 1.120 -5.005 1.00 22.51 C ATOM 180 C ILE A 13 -0.544 0.939 -5.149 1.00 44.14 C ATOM 181 O ILE A 13 -1.296 1.918 -5.183 1.00 44.31 O ATOM 182 CB ILE A 13 1.688 0.919 -6.405 1.00 60.01 C ATOM 183 CG1 ILE A 13 3.244 0.908 -6.245 1.00 53.52 C ATOM 184 CG2 ILE A 13 1.242 2.009 -7.412 1.00 31.14 C ATOM 185 CD1 ILE A 13 4.030 0.527 -7.496 1.00 34.32 C ATOM 0 H ILE A 13 2.127 -0.541 -4.414 1.00 62.11 H new ATOM 0 HA ILE A 13 1.197 2.131 -4.658 1.00 22.51 H new ATOM 0 HB ILE A 13 1.380 -0.048 -6.803 1.00 60.01 H new ATOM 0 HG12 ILE A 13 3.566 1.898 -5.922 1.00 53.52 H new ATOM 0 HG13 ILE A 13 3.505 0.213 -5.447 1.00 53.52 H new ATOM 0 HG21 ILE A 13 1.740 1.847 -8.368 1.00 31.14 H new ATOM 0 HG22 ILE A 13 0.162 1.955 -7.552 1.00 31.14 H new ATOM 0 HG23 ILE A 13 1.509 2.993 -7.026 1.00 31.14 H new ATOM 0 HD11 ILE A 13 5.097 0.550 -7.276 1.00 34.32 H new ATOM 0 HD12 ILE A 13 3.747 -0.477 -7.812 1.00 34.32 H new ATOM 0 HD13 ILE A 13 3.808 1.235 -8.295 1.00 34.32 H new ATOM 197 N ALA A 14 -0.982 -0.343 -5.181 1.00 4.03 N ATOM 198 CA ALA A 14 -2.406 -0.721 -5.311 1.00 62.13 C ATOM 199 C ALA A 14 -3.230 -0.305 -4.077 1.00 74.12 C ATOM 200 O ALA A 14 -4.437 -0.061 -4.191 1.00 53.45 O ATOM 201 CB ALA A 14 -2.539 -2.226 -5.545 1.00 51.53 C ATOM 0 H ALA A 14 -0.354 -1.144 -5.117 1.00 4.03 H new ATOM 0 HA ALA A 14 -2.805 -0.184 -6.172 1.00 62.13 H new ATOM 0 HB1 ALA A 14 -3.593 -2.488 -5.638 1.00 51.53 H new ATOM 0 HB2 ALA A 14 -2.014 -2.500 -6.460 1.00 51.53 H new ATOM 0 HB3 ALA A 14 -2.105 -2.765 -4.703 1.00 51.53 H new ATOM 207 N ILE A 15 -2.555 -0.235 -2.906 1.00 20.43 N ATOM 208 CA ILE A 15 -3.146 0.257 -1.648 1.00 13.34 C ATOM 209 C ILE A 15 -3.596 1.723 -1.817 1.00 3.30 C ATOM 210 O ILE A 15 -4.718 2.076 -1.465 1.00 70.51 O ATOM 211 CB ILE A 15 -2.132 0.100 -0.428 1.00 54.11 C ATOM 212 CG1 ILE A 15 -1.939 -1.414 -0.071 1.00 74.44 C ATOM 213 CG2 ILE A 15 -2.563 0.912 0.819 1.00 13.54 C ATOM 214 CD1 ILE A 15 -0.947 -1.705 1.053 1.00 3.11 C ATOM 0 H ILE A 15 -1.580 -0.521 -2.811 1.00 20.43 H new ATOM 0 HA ILE A 15 -4.021 -0.351 -1.416 1.00 13.34 H new ATOM 0 HB ILE A 15 -1.177 0.514 -0.751 1.00 54.11 H new ATOM 0 HG12 ILE A 15 -2.908 -1.830 0.207 1.00 74.44 H new ATOM 0 HG13 ILE A 15 -1.611 -1.941 -0.967 1.00 74.44 H new ATOM 0 HG21 ILE A 15 -1.835 0.767 1.617 1.00 13.54 H new ATOM 0 HG22 ILE A 15 -2.615 1.970 0.564 1.00 13.54 H new ATOM 0 HG23 ILE A 15 -3.542 0.571 1.155 1.00 13.54 H new ATOM 0 HD11 ILE A 15 -0.890 -2.781 1.218 1.00 3.11 H new ATOM 0 HD12 ILE A 15 0.037 -1.328 0.776 1.00 3.11 H new ATOM 0 HD13 ILE A 15 -1.280 -1.215 1.968 1.00 3.11 H new ATOM 226 N PHE A 16 -2.719 2.551 -2.421 1.00 54.15 N ATOM 227 CA PHE A 16 -2.994 3.988 -2.635 1.00 55.32 C ATOM 228 C PHE A 16 -3.961 4.220 -3.799 1.00 30.54 C ATOM 229 O PHE A 16 -4.701 5.211 -3.800 1.00 12.03 O ATOM 230 CB PHE A 16 -1.688 4.765 -2.871 1.00 21.05 C ATOM 231 CG PHE A 16 -0.702 4.610 -1.728 1.00 3.13 C ATOM 232 CD1 PHE A 16 -1.051 4.989 -0.428 1.00 60.11 C ATOM 233 CD2 PHE A 16 0.563 4.093 -1.947 1.00 64.30 C ATOM 234 CE1 PHE A 16 -0.151 4.855 0.609 1.00 20.31 C ATOM 235 CE2 PHE A 16 1.450 3.959 -0.915 1.00 22.04 C ATOM 236 CZ PHE A 16 1.097 4.336 0.365 1.00 73.35 C ATOM 0 H PHE A 16 -1.810 2.248 -2.771 1.00 54.15 H new ATOM 0 HA PHE A 16 -3.470 4.360 -1.728 1.00 55.32 H new ATOM 0 HB2 PHE A 16 -1.225 4.418 -3.795 1.00 21.05 H new ATOM 0 HB3 PHE A 16 -1.918 5.822 -3.007 1.00 21.05 H new ATOM 0 HD1 PHE A 16 -2.035 5.391 -0.234 1.00 60.11 H new ATOM 0 HD2 PHE A 16 0.852 3.792 -2.943 1.00 64.30 H new ATOM 0 HE1 PHE A 16 -0.427 5.157 1.609 1.00 20.31 H new ATOM 0 HE2 PHE A 16 2.434 3.555 -1.103 1.00 22.04 H new ATOM 0 HZ PHE A 16 1.802 4.223 1.175 1.00 73.35 H new ATOM 246 N GLN A 17 -3.935 3.302 -4.787 1.00 74.21 N ATOM 247 CA GLN A 17 -4.900 3.292 -5.900 1.00 73.34 C ATOM 248 C GLN A 17 -6.328 3.119 -5.358 1.00 30.53 C ATOM 249 O GLN A 17 -7.261 3.765 -5.839 1.00 72.23 O ATOM 250 CB GLN A 17 -4.567 2.174 -6.924 1.00 35.13 C ATOM 251 CG GLN A 17 -3.287 2.421 -7.751 1.00 23.54 C ATOM 252 CD GLN A 17 -3.036 1.356 -8.818 1.00 51.31 C ATOM 253 OE1 GLN A 17 -1.779 1.158 -9.192 1.00 21.02 O flip ATOM 254 NE2 GLN A 17 -3.970 0.737 -9.329 1.00 54.13 N flip ATOM 0 H GLN A 17 -3.247 2.551 -4.834 1.00 74.21 H new ATOM 0 HA GLN A 17 -4.831 4.248 -6.419 1.00 73.34 H new ATOM 0 HB2 GLN A 17 -4.462 1.230 -6.390 1.00 35.13 H new ATOM 0 HB3 GLN A 17 -5.409 2.062 -7.607 1.00 35.13 H new ATOM 0 HG2 GLN A 17 -3.357 3.397 -8.232 1.00 23.54 H new ATOM 0 HG3 GLN A 17 -2.431 2.459 -7.078 1.00 23.54 H new ATOM 0 HE21 GLN A 17 -4.927 0.911 -9.020 1.00 54.13 H new ATOM 0 HE22 GLN A 17 -3.787 0.050 -10.061 1.00 54.13 H new ATOM 263 N LEU A 18 -6.463 2.258 -4.326 1.00 65.10 N ATOM 264 CA LEU A 18 -7.731 2.060 -3.610 1.00 24.53 C ATOM 265 C LEU A 18 -8.024 3.237 -2.662 1.00 43.50 C ATOM 266 O LEU A 18 -9.165 3.669 -2.557 1.00 4.21 O ATOM 267 CB LEU A 18 -7.746 0.712 -2.838 1.00 1.24 C ATOM 268 CG LEU A 18 -7.724 -0.580 -3.722 1.00 41.24 C ATOM 269 CD1 LEU A 18 -7.774 -1.850 -2.852 1.00 22.24 C ATOM 270 CD2 LEU A 18 -8.865 -0.580 -4.768 1.00 30.14 C ATOM 0 H LEU A 18 -5.697 1.686 -3.971 1.00 65.10 H new ATOM 0 HA LEU A 18 -8.523 2.022 -4.358 1.00 24.53 H new ATOM 0 HB2 LEU A 18 -6.884 0.688 -2.171 1.00 1.24 H new ATOM 0 HB3 LEU A 18 -8.636 0.685 -2.210 1.00 1.24 H new ATOM 0 HG LEU A 18 -6.781 -0.581 -4.268 1.00 41.24 H new ATOM 0 HD11 LEU A 18 -7.757 -2.731 -3.493 1.00 22.24 H new ATOM 0 HD12 LEU A 18 -6.911 -1.869 -2.186 1.00 22.24 H new ATOM 0 HD13 LEU A 18 -8.689 -1.849 -2.260 1.00 22.24 H new ATOM 0 HD21 LEU A 18 -8.815 -1.493 -5.361 1.00 30.14 H new ATOM 0 HD22 LEU A 18 -9.827 -0.531 -4.257 1.00 30.14 H new ATOM 0 HD23 LEU A 18 -8.758 0.285 -5.423 1.00 30.14 H new ATOM 282 N TRP A 19 -6.986 3.776 -1.999 1.00 42.03 N ATOM 283 CA TRP A 19 -7.145 4.877 -1.014 1.00 0.25 C ATOM 284 C TRP A 19 -7.699 6.170 -1.648 1.00 13.15 C ATOM 285 O TRP A 19 -8.415 6.936 -0.982 1.00 71.01 O ATOM 286 CB TRP A 19 -5.816 5.124 -0.253 1.00 1.31 C ATOM 287 CG TRP A 19 -5.552 4.160 0.885 1.00 55.30 C ATOM 288 CD1 TRP A 19 -6.224 3.001 1.188 1.00 52.04 C ATOM 289 CD2 TRP A 19 -4.539 4.302 1.882 1.00 2.34 C ATOM 290 NE1 TRP A 19 -5.686 2.426 2.308 1.00 14.45 N ATOM 291 CE2 TRP A 19 -4.651 3.204 2.750 1.00 25.55 C ATOM 292 CE3 TRP A 19 -3.548 5.258 2.121 1.00 40.14 C ATOM 293 CZ2 TRP A 19 -3.810 3.036 3.839 1.00 34.14 C ATOM 294 CZ3 TRP A 19 -2.710 5.088 3.201 1.00 54.23 C ATOM 295 CH2 TRP A 19 -2.849 3.986 4.047 1.00 10.32 C ATOM 0 H TRP A 19 -6.021 3.470 -2.124 1.00 42.03 H new ATOM 0 HA TRP A 19 -7.895 4.559 -0.290 1.00 0.25 H new ATOM 0 HB2 TRP A 19 -4.990 5.064 -0.962 1.00 1.31 H new ATOM 0 HB3 TRP A 19 -5.823 6.140 0.143 1.00 1.31 H new ATOM 0 HD1 TRP A 19 -7.055 2.602 0.625 1.00 52.04 H new ATOM 0 HE1 TRP A 19 -6.005 1.560 2.742 1.00 14.45 H new ATOM 0 HE3 TRP A 19 -3.441 6.114 1.471 1.00 40.14 H new ATOM 0 HZ2 TRP A 19 -3.910 2.187 4.498 1.00 34.14 H new ATOM 0 HZ3 TRP A 19 -1.936 5.816 3.396 1.00 54.23 H new ATOM 0 HH2 TRP A 19 -2.180 3.881 4.888 1.00 10.32 H new ATOM 306 N LYS A 20 -7.375 6.403 -2.929 1.00 64.23 N ATOM 307 CA LYS A 20 -7.936 7.533 -3.700 1.00 21.34 C ATOM 308 C LYS A 20 -9.157 7.087 -4.538 1.00 2.33 C ATOM 309 O LYS A 20 -9.959 7.929 -4.954 1.00 13.23 O ATOM 310 CB LYS A 20 -6.852 8.173 -4.612 1.00 3.11 C ATOM 311 CG LYS A 20 -6.311 7.254 -5.730 1.00 41.45 C ATOM 312 CD LYS A 20 -5.247 7.953 -6.609 1.00 35.31 C ATOM 313 CE LYS A 20 -4.729 7.051 -7.740 1.00 51.24 C ATOM 314 NZ LYS A 20 -3.787 7.772 -8.635 1.00 63.21 N ATOM 0 H LYS A 20 -6.724 5.823 -3.459 1.00 64.23 H new ATOM 0 HA LYS A 20 -8.273 8.286 -2.987 1.00 21.34 H new ATOM 0 HB2 LYS A 20 -7.268 9.070 -5.070 1.00 3.11 H new ATOM 0 HB3 LYS A 20 -6.017 8.491 -3.989 1.00 3.11 H new ATOM 0 HG2 LYS A 20 -5.877 6.360 -5.283 1.00 41.45 H new ATOM 0 HG3 LYS A 20 -7.139 6.926 -6.359 1.00 41.45 H new ATOM 0 HD2 LYS A 20 -5.674 8.859 -7.039 1.00 35.31 H new ATOM 0 HD3 LYS A 20 -4.410 8.261 -5.983 1.00 35.31 H new ATOM 0 HE2 LYS A 20 -4.230 6.182 -7.312 1.00 51.24 H new ATOM 0 HE3 LYS A 20 -5.572 6.679 -8.323 1.00 51.24 H new ATOM 0 HZ1 LYS A 20 -3.775 7.313 -9.568 1.00 63.21 H new ATOM 0 HZ2 LYS A 20 -4.095 8.760 -8.739 1.00 63.21 H new ATOM 0 HZ3 LYS A 20 -2.832 7.748 -8.225 1.00 63.21 H new ATOM 328 N ASN A 21 -9.292 5.760 -4.777 1.00 52.05 N ATOM 329 CA ASN A 21 -10.383 5.186 -5.598 1.00 22.24 C ATOM 330 C ASN A 21 -10.589 3.682 -5.235 1.00 70.10 C ATOM 331 O ASN A 21 -9.967 2.805 -5.849 1.00 2.00 O ATOM 332 CB ASN A 21 -10.069 5.372 -7.115 1.00 52.02 C ATOM 333 CG ASN A 21 -11.164 4.829 -8.039 1.00 41.23 C ATOM 334 OD1 ASN A 21 -11.067 3.567 -8.406 1.00 64.21 O flip ATOM 335 ND2 ASN A 21 -12.094 5.537 -8.415 1.00 75.34 N flip ATOM 0 H ASN A 21 -8.649 5.060 -4.407 1.00 52.05 H new ATOM 0 HA ASN A 21 -11.313 5.713 -5.384 1.00 22.24 H new ATOM 0 HB2 ASN A 21 -9.925 6.433 -7.320 1.00 52.02 H new ATOM 0 HB3 ASN A 21 -9.129 4.872 -7.347 1.00 52.02 H new ATOM 0 HD21 ASN A 21 -12.146 6.511 -8.117 1.00 75.34 H new ATOM 0 HD22 ASN A 21 -12.814 5.151 -9.026 1.00 75.34 H new ATOM 342 N PRO A 22 -11.456 3.358 -4.207 1.00 44.32 N ATOM 343 CA PRO A 22 -11.660 1.955 -3.719 1.00 3.10 C ATOM 344 C PRO A 22 -12.395 1.060 -4.733 1.00 53.53 C ATOM 345 O PRO A 22 -12.482 -0.161 -4.553 1.00 64.15 O ATOM 346 CB PRO A 22 -12.480 2.149 -2.414 1.00 12.22 C ATOM 347 CG PRO A 22 -13.211 3.443 -2.613 1.00 41.02 C ATOM 348 CD PRO A 22 -12.288 4.323 -3.434 1.00 13.11 C ATOM 0 HA PRO A 22 -10.715 1.434 -3.562 1.00 3.10 H new ATOM 0 HB2 PRO A 22 -13.173 1.323 -2.255 1.00 12.22 H new ATOM 0 HB3 PRO A 22 -11.830 2.192 -1.540 1.00 12.22 H new ATOM 0 HG2 PRO A 22 -14.157 3.281 -3.130 1.00 41.02 H new ATOM 0 HG3 PRO A 22 -13.446 3.910 -1.656 1.00 41.02 H new ATOM 0 HD2 PRO A 22 -12.850 4.983 -4.095 1.00 13.11 H new ATOM 0 HD3 PRO A 22 -11.673 4.959 -2.797 1.00 13.11 H new ATOM 356 N THR A 23 -12.893 1.689 -5.808 1.00 64.14 N ATOM 357 CA THR A 23 -13.640 1.028 -6.875 1.00 41.25 C ATOM 358 C THR A 23 -12.705 0.566 -8.015 1.00 61.15 C ATOM 359 O THR A 23 -13.188 0.174 -9.079 1.00 1.12 O ATOM 360 CB THR A 23 -14.729 2.014 -7.423 1.00 22.22 C ATOM 361 OG1 THR A 23 -14.095 3.208 -7.920 1.00 0.11 O ATOM 362 CG2 THR A 23 -15.746 2.404 -6.329 1.00 51.43 C ATOM 0 H THR A 23 -12.782 2.692 -5.958 1.00 64.14 H new ATOM 0 HA THR A 23 -14.120 0.138 -6.469 1.00 41.25 H new ATOM 0 HB THR A 23 -15.264 1.505 -8.225 1.00 22.22 H new ATOM 0 HG1 THR A 23 -13.125 3.074 -7.952 1.00 0.11 H new ATOM 0 HG21 THR A 23 -16.485 3.088 -6.746 1.00 51.43 H new ATOM 0 HG22 THR A 23 -16.247 1.508 -5.962 1.00 51.43 H new ATOM 0 HG23 THR A 23 -15.225 2.891 -5.505 1.00 51.43 H new ATOM 370 N ASP A 24 -11.366 0.616 -7.797 1.00 74.13 N ATOM 371 CA ASP A 24 -10.388 0.160 -8.811 1.00 3.50 C ATOM 372 C ASP A 24 -10.317 -1.385 -8.795 1.00 23.04 C ATOM 373 O ASP A 24 -9.831 -1.964 -7.813 1.00 34.22 O ATOM 374 CB ASP A 24 -8.973 0.770 -8.582 1.00 2.42 C ATOM 375 CG ASP A 24 -8.059 0.565 -9.808 1.00 40.13 C ATOM 376 OD1 ASP A 24 -7.419 -0.491 -9.934 1.00 51.01 O ATOM 377 OD2 ASP A 24 -8.013 1.456 -10.678 1.00 42.14 O ATOM 0 H ASP A 24 -10.945 0.964 -6.936 1.00 74.13 H new ATOM 0 HA ASP A 24 -10.728 0.507 -9.787 1.00 3.50 H new ATOM 0 HB2 ASP A 24 -9.066 1.835 -8.371 1.00 2.42 H new ATOM 0 HB3 ASP A 24 -8.516 0.310 -7.706 1.00 2.42 H new ATOM 382 N PRO A 25 -10.809 -2.076 -9.878 1.00 45.30 N ATOM 383 CA PRO A 25 -10.923 -3.550 -9.899 1.00 42.12 C ATOM 384 C PRO A 25 -9.555 -4.261 -9.860 1.00 74.40 C ATOM 385 O PRO A 25 -9.377 -5.193 -9.079 1.00 42.14 O ATOM 386 CB PRO A 25 -11.702 -3.838 -11.215 1.00 63.22 C ATOM 387 CG PRO A 25 -11.426 -2.656 -12.092 1.00 54.41 C ATOM 388 CD PRO A 25 -11.300 -1.473 -11.155 1.00 72.14 C ATOM 0 HA PRO A 25 -11.431 -3.935 -9.015 1.00 42.12 H new ATOM 0 HB2 PRO A 25 -11.363 -4.763 -11.681 1.00 63.22 H new ATOM 0 HB3 PRO A 25 -12.770 -3.949 -11.026 1.00 63.22 H new ATOM 0 HG2 PRO A 25 -10.511 -2.800 -12.667 1.00 54.41 H new ATOM 0 HG3 PRO A 25 -12.232 -2.504 -12.809 1.00 54.41 H new ATOM 0 HD2 PRO A 25 -10.601 -0.731 -11.541 1.00 72.14 H new ATOM 0 HD3 PRO A 25 -12.257 -0.969 -11.017 1.00 72.14 H new ATOM 396 N GLU A 26 -8.583 -3.786 -10.665 1.00 21.31 N ATOM 397 CA GLU A 26 -7.294 -4.490 -10.849 1.00 4.05 C ATOM 398 C GLU A 26 -6.358 -4.320 -9.638 1.00 22.23 C ATOM 399 O GLU A 26 -5.535 -5.199 -9.365 1.00 70.01 O ATOM 400 CB GLU A 26 -6.600 -4.041 -12.157 1.00 54.24 C ATOM 401 CG GLU A 26 -6.297 -2.539 -12.254 1.00 21.40 C ATOM 402 CD GLU A 26 -5.700 -2.121 -13.605 1.00 42.10 C ATOM 403 OE1 GLU A 26 -4.461 -2.026 -13.725 1.00 5.34 O ATOM 404 OE2 GLU A 26 -6.477 -1.890 -14.557 1.00 53.43 O ATOM 0 H GLU A 26 -8.664 -2.920 -11.198 1.00 21.31 H new ATOM 0 HA GLU A 26 -7.519 -5.554 -10.928 1.00 4.05 H new ATOM 0 HB2 GLU A 26 -5.665 -4.591 -12.261 1.00 54.24 H new ATOM 0 HB3 GLU A 26 -7.231 -4.323 -13.000 1.00 54.24 H new ATOM 0 HG2 GLU A 26 -7.217 -1.979 -12.083 1.00 21.40 H new ATOM 0 HG3 GLU A 26 -5.604 -2.264 -11.459 1.00 21.40 H new ATOM 411 N ALA A 27 -6.510 -3.197 -8.909 1.00 73.53 N ATOM 412 CA ALA A 27 -5.716 -2.917 -7.695 1.00 61.45 C ATOM 413 C ALA A 27 -5.998 -3.971 -6.611 1.00 63.10 C ATOM 414 O ALA A 27 -5.092 -4.677 -6.177 1.00 72.23 O ATOM 415 CB ALA A 27 -6.000 -1.501 -7.173 1.00 52.51 C ATOM 0 H ALA A 27 -7.180 -2.464 -9.142 1.00 73.53 H new ATOM 0 HA ALA A 27 -4.659 -2.972 -7.955 1.00 61.45 H new ATOM 0 HB1 ALA A 27 -5.405 -1.317 -6.279 1.00 52.51 H new ATOM 0 HB2 ALA A 27 -5.739 -0.771 -7.940 1.00 52.51 H new ATOM 0 HB3 ALA A 27 -7.058 -1.408 -6.930 1.00 52.51 H new ATOM 421 N GLN A 28 -7.281 -4.095 -6.223 1.00 3.11 N ATOM 422 CA GLN A 28 -7.736 -5.086 -5.217 1.00 62.13 C ATOM 423 C GLN A 28 -7.584 -6.544 -5.729 1.00 62.13 C ATOM 424 O GLN A 28 -7.410 -7.471 -4.930 1.00 64.21 O ATOM 425 CB GLN A 28 -9.203 -4.783 -4.806 1.00 61.02 C ATOM 426 CG GLN A 28 -10.196 -4.734 -5.983 1.00 5.21 C ATOM 427 CD GLN A 28 -11.566 -4.184 -5.602 1.00 64.02 C ATOM 428 OE1 GLN A 28 -12.472 -4.934 -5.235 1.00 54.12 O ATOM 429 NE2 GLN A 28 -11.722 -2.869 -5.670 1.00 62.15 N ATOM 0 H GLN A 28 -8.033 -3.515 -6.594 1.00 3.11 H new ATOM 0 HA GLN A 28 -7.098 -4.996 -4.338 1.00 62.13 H new ATOM 0 HB2 GLN A 28 -9.534 -5.543 -4.099 1.00 61.02 H new ATOM 0 HB3 GLN A 28 -9.231 -3.827 -4.283 1.00 61.02 H new ATOM 0 HG2 GLN A 28 -9.775 -4.118 -6.778 1.00 5.21 H new ATOM 0 HG3 GLN A 28 -10.317 -5.739 -6.388 1.00 5.21 H new ATOM 0 HE21 GLN A 28 -10.949 -2.279 -5.978 1.00 62.15 H new ATOM 0 HE22 GLN A 28 -12.615 -2.447 -5.414 1.00 62.15 H new ATOM 438 N GLU A 29 -7.622 -6.712 -7.068 1.00 34.20 N ATOM 439 CA GLU A 29 -7.515 -8.027 -7.746 1.00 51.41 C ATOM 440 C GLU A 29 -6.111 -8.634 -7.555 1.00 42.13 C ATOM 441 O GLU A 29 -5.977 -9.818 -7.234 1.00 4.04 O ATOM 442 CB GLU A 29 -7.873 -7.853 -9.255 1.00 74.42 C ATOM 443 CG GLU A 29 -7.872 -9.131 -10.143 1.00 33.32 C ATOM 444 CD GLU A 29 -6.489 -9.547 -10.683 1.00 74.23 C ATOM 445 OE1 GLU A 29 -6.219 -10.756 -10.801 1.00 24.34 O ATOM 446 OE2 GLU A 29 -5.674 -8.662 -11.009 1.00 62.12 O ATOM 0 H GLU A 29 -7.729 -5.933 -7.717 1.00 34.20 H new ATOM 0 HA GLU A 29 -8.221 -8.727 -7.299 1.00 51.41 H new ATOM 0 HB2 GLU A 29 -8.863 -7.401 -9.316 1.00 74.42 H new ATOM 0 HB3 GLU A 29 -7.170 -7.141 -9.688 1.00 74.42 H new ATOM 0 HG2 GLU A 29 -8.283 -9.958 -9.564 1.00 33.32 H new ATOM 0 HG3 GLU A 29 -8.542 -8.969 -10.988 1.00 33.32 H new ATOM 453 N LEU A 30 -5.061 -7.814 -7.762 1.00 53.52 N ATOM 454 CA LEU A 30 -3.664 -8.269 -7.599 1.00 73.31 C ATOM 455 C LEU A 30 -3.335 -8.496 -6.112 1.00 3.53 C ATOM 456 O LEU A 30 -2.588 -9.418 -5.785 1.00 53.42 O ATOM 457 CB LEU A 30 -2.660 -7.293 -8.298 1.00 61.21 C ATOM 458 CG LEU A 30 -2.557 -5.807 -7.757 1.00 65.23 C ATOM 459 CD1 LEU A 30 -1.497 -5.648 -6.640 1.00 24.14 C ATOM 460 CD2 LEU A 30 -2.296 -4.796 -8.893 1.00 42.35 C ATOM 0 H LEU A 30 -5.152 -6.837 -8.041 1.00 53.52 H new ATOM 0 HA LEU A 30 -3.554 -9.231 -8.100 1.00 73.31 H new ATOM 0 HB2 LEU A 30 -1.667 -7.738 -8.238 1.00 61.21 H new ATOM 0 HB3 LEU A 30 -2.924 -7.245 -9.354 1.00 61.21 H new ATOM 0 HG LEU A 30 -3.530 -5.585 -7.318 1.00 65.23 H new ATOM 0 HD11 LEU A 30 -1.471 -4.610 -6.308 1.00 24.14 H new ATOM 0 HD12 LEU A 30 -1.755 -6.291 -5.799 1.00 24.14 H new ATOM 0 HD13 LEU A 30 -0.517 -5.931 -7.025 1.00 24.14 H new ATOM 0 HD21 LEU A 30 -2.233 -3.790 -8.478 1.00 42.35 H new ATOM 0 HD22 LEU A 30 -1.358 -5.043 -9.391 1.00 42.35 H new ATOM 0 HD23 LEU A 30 -3.112 -4.840 -9.614 1.00 42.35 H new ATOM 472 N LEU A 31 -3.938 -7.655 -5.226 1.00 52.33 N ATOM 473 CA LEU A 31 -3.832 -7.799 -3.749 1.00 22.33 C ATOM 474 C LEU A 31 -4.413 -9.150 -3.278 1.00 40.21 C ATOM 475 O LEU A 31 -3.987 -9.696 -2.264 1.00 53.04 O ATOM 476 CB LEU A 31 -4.578 -6.641 -3.014 1.00 0.51 C ATOM 477 CG LEU A 31 -4.060 -5.189 -3.263 1.00 1.42 C ATOM 478 CD1 LEU A 31 -4.898 -4.141 -2.497 1.00 20.42 C ATOM 479 CD2 LEU A 31 -2.580 -5.059 -2.909 1.00 21.01 C ATOM 0 H LEU A 31 -4.509 -6.861 -5.516 1.00 52.33 H new ATOM 0 HA LEU A 31 -2.772 -7.757 -3.500 1.00 22.33 H new ATOM 0 HB2 LEU A 31 -5.629 -6.679 -3.302 1.00 0.51 H new ATOM 0 HB3 LEU A 31 -4.534 -6.837 -1.943 1.00 0.51 H new ATOM 0 HG LEU A 31 -4.174 -4.989 -4.328 1.00 1.42 H new ATOM 0 HD11 LEU A 31 -4.505 -3.144 -2.697 1.00 20.42 H new ATOM 0 HD12 LEU A 31 -5.936 -4.195 -2.825 1.00 20.42 H new ATOM 0 HD13 LEU A 31 -4.845 -4.344 -1.427 1.00 20.42 H new ATOM 0 HD21 LEU A 31 -2.250 -4.037 -3.094 1.00 21.01 H new ATOM 0 HD22 LEU A 31 -2.435 -5.303 -1.857 1.00 21.01 H new ATOM 0 HD23 LEU A 31 -1.997 -5.745 -3.524 1.00 21.01 H new ATOM 491 N ASN A 32 -5.395 -9.657 -4.045 1.00 24.15 N ATOM 492 CA ASN A 32 -6.091 -10.930 -3.760 1.00 61.31 C ATOM 493 C ASN A 32 -5.163 -12.140 -3.993 1.00 63.13 C ATOM 494 O ASN A 32 -5.340 -13.202 -3.391 1.00 41.15 O ATOM 495 CB ASN A 32 -7.364 -11.025 -4.651 1.00 11.12 C ATOM 496 CG ASN A 32 -8.348 -12.120 -4.226 1.00 31.40 C ATOM 497 OD1 ASN A 32 -8.281 -13.261 -4.685 1.00 32.12 O ATOM 498 ND2 ASN A 32 -9.283 -11.772 -3.350 1.00 4.01 N ATOM 0 H ASN A 32 -5.732 -9.192 -4.888 1.00 24.15 H new ATOM 0 HA ASN A 32 -6.383 -10.948 -2.710 1.00 61.31 H new ATOM 0 HB2 ASN A 32 -7.878 -10.064 -4.634 1.00 11.12 H new ATOM 0 HB3 ASN A 32 -7.060 -11.206 -5.682 1.00 11.12 H new ATOM 0 HD21 ASN A 32 -9.971 -12.458 -3.039 1.00 4.01 H new ATOM 0 HD22 ASN A 32 -9.313 -10.819 -2.988 1.00 4.01 H new ATOM 505 N LYS A 33 -4.156 -11.945 -4.857 1.00 5.43 N ATOM 506 CA LYS A 33 -3.245 -13.007 -5.297 1.00 25.51 C ATOM 507 C LYS A 33 -1.988 -13.040 -4.412 1.00 4.24 C ATOM 508 O LYS A 33 -1.559 -14.107 -3.969 1.00 22.24 O ATOM 509 CB LYS A 33 -2.846 -12.739 -6.779 1.00 31.35 C ATOM 510 CG LYS A 33 -4.054 -12.500 -7.713 1.00 21.23 C ATOM 511 CD LYS A 33 -3.649 -12.060 -9.135 1.00 3.03 C ATOM 512 CE LYS A 33 -2.883 -13.134 -9.914 1.00 53.22 C ATOM 513 NZ LYS A 33 -2.562 -12.673 -11.293 1.00 3.34 N ATOM 0 H LYS A 33 -3.951 -11.036 -5.273 1.00 5.43 H new ATOM 0 HA LYS A 33 -3.744 -13.972 -5.213 1.00 25.51 H new ATOM 0 HB2 LYS A 33 -2.190 -11.869 -6.818 1.00 31.35 H new ATOM 0 HB3 LYS A 33 -2.272 -13.588 -7.151 1.00 31.35 H new ATOM 0 HG2 LYS A 33 -4.641 -13.416 -7.777 1.00 21.23 H new ATOM 0 HG3 LYS A 33 -4.698 -11.738 -7.274 1.00 21.23 H new ATOM 0 HD2 LYS A 33 -4.546 -11.789 -9.692 1.00 3.03 H new ATOM 0 HD3 LYS A 33 -3.033 -11.163 -9.067 1.00 3.03 H new ATOM 0 HE2 LYS A 33 -1.962 -13.382 -9.387 1.00 53.22 H new ATOM 0 HE3 LYS A 33 -3.478 -14.046 -9.962 1.00 53.22 H new ATOM 0 HZ1 LYS A 33 -2.043 -13.420 -11.797 1.00 3.34 H new ATOM 0 HZ2 LYS A 33 -3.444 -12.460 -11.802 1.00 3.34 H new ATOM 0 HZ3 LYS A 33 -1.974 -11.816 -11.245 1.00 3.34 H new ATOM 527 N ILE A 34 -1.426 -11.844 -4.139 1.00 14.23 N ATOM 528 CA ILE A 34 -0.078 -11.692 -3.528 1.00 21.44 C ATOM 529 C ILE A 34 -0.144 -11.537 -1.991 1.00 40.41 C ATOM 530 O ILE A 34 0.788 -11.930 -1.278 1.00 14.12 O ATOM 531 CB ILE A 34 0.681 -10.463 -4.171 1.00 10.43 C ATOM 532 CG1 ILE A 34 -0.096 -9.130 -3.908 1.00 35.10 C ATOM 533 CG2 ILE A 34 0.914 -10.689 -5.691 1.00 44.15 C ATOM 534 CD1 ILE A 34 0.427 -7.905 -4.630 1.00 10.23 C ATOM 0 H ILE A 34 -1.888 -10.956 -4.333 1.00 14.23 H new ATOM 0 HA ILE A 34 0.475 -12.608 -3.737 1.00 21.44 H new ATOM 0 HB ILE A 34 1.658 -10.379 -3.694 1.00 10.43 H new ATOM 0 HG12 ILE A 34 -1.138 -9.278 -4.192 1.00 35.10 H new ATOM 0 HG13 ILE A 34 -0.083 -8.930 -2.837 1.00 35.10 H new ATOM 0 HG21 ILE A 34 1.438 -9.830 -6.110 1.00 44.15 H new ATOM 0 HG22 ILE A 34 1.514 -11.587 -5.838 1.00 44.15 H new ATOM 0 HG23 ILE A 34 -0.046 -10.809 -6.192 1.00 44.15 H new ATOM 0 HD11 ILE A 34 -0.187 -7.042 -4.373 1.00 10.23 H new ATOM 0 HD12 ILE A 34 1.458 -7.719 -4.330 1.00 10.23 H new ATOM 0 HD13 ILE A 34 0.386 -8.072 -5.706 1.00 10.23 H new ATOM 546 N LEU A 35 -1.242 -10.945 -1.503 1.00 22.22 N ATOM 547 CA LEU A 35 -1.470 -10.720 -0.060 1.00 43.13 C ATOM 548 C LEU A 35 -2.596 -11.630 0.440 1.00 55.22 C ATOM 549 O LEU A 35 -3.235 -12.348 -0.345 1.00 44.50 O ATOM 550 CB LEU A 35 -1.852 -9.233 0.215 1.00 1.21 C ATOM 551 CG LEU A 35 -0.865 -8.140 -0.304 1.00 63.23 C ATOM 552 CD1 LEU A 35 -1.363 -6.725 0.038 1.00 2.04 C ATOM 553 CD2 LEU A 35 0.563 -8.357 0.227 1.00 24.21 C ATOM 0 H LEU A 35 -2.001 -10.606 -2.094 1.00 22.22 H new ATOM 0 HA LEU A 35 -0.546 -10.952 0.470 1.00 43.13 H new ATOM 0 HB2 LEU A 35 -2.829 -9.046 -0.231 1.00 1.21 H new ATOM 0 HB3 LEU A 35 -1.963 -9.105 1.292 1.00 1.21 H new ATOM 0 HG LEU A 35 -0.831 -8.235 -1.389 1.00 63.23 H new ATOM 0 HD11 LEU A 35 -0.653 -5.989 -0.338 1.00 2.04 H new ATOM 0 HD12 LEU A 35 -2.336 -6.560 -0.425 1.00 2.04 H new ATOM 0 HD13 LEU A 35 -1.454 -6.623 1.119 1.00 2.04 H new ATOM 0 HD21 LEU A 35 1.217 -7.575 -0.158 1.00 24.21 H new ATOM 0 HD22 LEU A 35 0.556 -8.320 1.316 1.00 24.21 H new ATOM 0 HD23 LEU A 35 0.929 -9.330 -0.101 1.00 24.21 H new ATOM 565 N SER A 36 -2.824 -11.587 1.760 1.00 23.13 N ATOM 566 CA SER A 36 -3.979 -12.230 2.388 1.00 62.45 C ATOM 567 C SER A 36 -5.264 -11.406 2.073 1.00 2.13 C ATOM 568 O SER A 36 -5.188 -10.174 1.977 1.00 13.33 O ATOM 569 CB SER A 36 -3.740 -12.344 3.914 1.00 52.33 C ATOM 570 OG SER A 36 -2.532 -13.043 4.187 1.00 72.15 O ATOM 0 H SER A 36 -2.212 -11.105 2.419 1.00 23.13 H new ATOM 0 HA SER A 36 -4.113 -13.236 1.990 1.00 62.45 H new ATOM 0 HB2 SER A 36 -3.696 -11.348 4.355 1.00 52.33 H new ATOM 0 HB3 SER A 36 -4.578 -12.862 4.380 1.00 52.33 H new ATOM 0 HG SER A 36 -1.783 -12.583 3.754 1.00 72.15 H new ATOM 576 N PRO A 37 -6.451 -12.071 1.874 1.00 54.23 N ATOM 577 CA PRO A 37 -7.761 -11.381 1.625 1.00 73.03 C ATOM 578 C PRO A 37 -8.119 -10.296 2.672 1.00 54.41 C ATOM 579 O PRO A 37 -8.782 -9.302 2.357 1.00 1.25 O ATOM 580 CB PRO A 37 -8.779 -12.548 1.649 1.00 60.33 C ATOM 581 CG PRO A 37 -7.977 -13.731 1.191 1.00 61.01 C ATOM 582 CD PRO A 37 -6.603 -13.550 1.806 1.00 73.14 C ATOM 0 HA PRO A 37 -7.744 -10.821 0.690 1.00 73.03 H new ATOM 0 HB2 PRO A 37 -9.186 -12.703 2.648 1.00 60.33 H new ATOM 0 HB3 PRO A 37 -9.623 -12.356 0.987 1.00 60.33 H new ATOM 0 HG2 PRO A 37 -8.434 -14.665 1.518 1.00 61.01 H new ATOM 0 HG3 PRO A 37 -7.918 -13.768 0.103 1.00 61.01 H new ATOM 0 HD2 PRO A 37 -6.541 -14.007 2.794 1.00 73.14 H new ATOM 0 HD3 PRO A 37 -5.825 -14.007 1.194 1.00 73.14 H new ATOM 590 N ASP A 38 -7.656 -10.499 3.910 1.00 73.11 N ATOM 591 CA ASP A 38 -7.899 -9.572 5.032 1.00 41.33 C ATOM 592 C ASP A 38 -7.141 -8.236 4.838 1.00 42.33 C ATOM 593 O ASP A 38 -7.628 -7.169 5.234 1.00 30.40 O ATOM 594 CB ASP A 38 -7.481 -10.244 6.365 1.00 3.34 C ATOM 595 CG ASP A 38 -8.210 -11.576 6.614 1.00 14.42 C ATOM 596 OD1 ASP A 38 -9.369 -11.558 7.084 1.00 34.24 O ATOM 597 OD2 ASP A 38 -7.640 -12.647 6.313 1.00 21.45 O ATOM 0 H ASP A 38 -7.099 -11.314 4.168 1.00 73.11 H new ATOM 0 HA ASP A 38 -8.964 -9.343 5.062 1.00 41.33 H new ATOM 0 HB2 ASP A 38 -6.405 -10.420 6.357 1.00 3.34 H new ATOM 0 HB3 ASP A 38 -7.686 -9.563 7.191 1.00 3.34 H new ATOM 602 N VAL A 39 -5.962 -8.318 4.190 1.00 35.24 N ATOM 603 CA VAL A 39 -5.071 -7.163 3.966 1.00 1.53 C ATOM 604 C VAL A 39 -5.681 -6.185 2.938 1.00 4.11 C ATOM 605 O VAL A 39 -5.621 -4.974 3.125 1.00 5.42 O ATOM 606 CB VAL A 39 -3.640 -7.622 3.486 1.00 45.40 C ATOM 607 CG1 VAL A 39 -2.672 -6.427 3.366 1.00 54.14 C ATOM 608 CG2 VAL A 39 -3.052 -8.700 4.419 1.00 34.24 C ATOM 0 H VAL A 39 -5.600 -9.191 3.806 1.00 35.24 H new ATOM 0 HA VAL A 39 -4.964 -6.649 4.921 1.00 1.53 H new ATOM 0 HB VAL A 39 -3.761 -8.059 2.495 1.00 45.40 H new ATOM 0 HG11 VAL A 39 -1.696 -6.781 3.033 1.00 54.14 H new ATOM 0 HG12 VAL A 39 -3.065 -5.712 2.643 1.00 54.14 H new ATOM 0 HG13 VAL A 39 -2.570 -5.942 4.337 1.00 54.14 H new ATOM 0 HG21 VAL A 39 -2.066 -8.994 4.059 1.00 34.24 H new ATOM 0 HG22 VAL A 39 -2.966 -8.299 5.429 1.00 34.24 H new ATOM 0 HG23 VAL A 39 -3.709 -9.570 4.429 1.00 34.24 H new ATOM 618 N LEU A 40 -6.280 -6.718 1.857 1.00 12.03 N ATOM 619 CA LEU A 40 -6.908 -5.873 0.810 1.00 51.12 C ATOM 620 C LEU A 40 -8.216 -5.251 1.324 1.00 53.42 C ATOM 621 O LEU A 40 -8.588 -4.140 0.925 1.00 42.42 O ATOM 622 CB LEU A 40 -7.144 -6.697 -0.491 1.00 20.11 C ATOM 623 CG LEU A 40 -8.190 -7.878 -0.433 1.00 33.21 C ATOM 624 CD1 LEU A 40 -9.631 -7.431 -0.777 1.00 23.42 C ATOM 625 CD2 LEU A 40 -7.767 -9.057 -1.319 1.00 1.34 C ATOM 0 H LEU A 40 -6.345 -7.721 1.681 1.00 12.03 H new ATOM 0 HA LEU A 40 -6.226 -5.057 0.569 1.00 51.12 H new ATOM 0 HB2 LEU A 40 -7.461 -6.006 -1.272 1.00 20.11 H new ATOM 0 HB3 LEU A 40 -6.186 -7.113 -0.803 1.00 20.11 H new ATOM 0 HG LEU A 40 -8.199 -8.211 0.605 1.00 33.21 H new ATOM 0 HD11 LEU A 40 -10.301 -8.288 -0.719 1.00 23.42 H new ATOM 0 HD12 LEU A 40 -9.955 -6.669 -0.068 1.00 23.42 H new ATOM 0 HD13 LEU A 40 -9.653 -7.020 -1.786 1.00 23.42 H new ATOM 0 HD21 LEU A 40 -8.513 -9.849 -1.251 1.00 1.34 H new ATOM 0 HD22 LEU A 40 -7.685 -8.724 -2.353 1.00 1.34 H new ATOM 0 HD23 LEU A 40 -6.803 -9.437 -0.982 1.00 1.34 H new ATOM 637 N ASP A 41 -8.893 -5.996 2.222 1.00 64.10 N ATOM 638 CA ASP A 41 -10.188 -5.601 2.790 1.00 71.12 C ATOM 639 C ASP A 41 -10.044 -4.340 3.645 1.00 33.32 C ATOM 640 O ASP A 41 -10.780 -3.378 3.455 1.00 41.55 O ATOM 641 CB ASP A 41 -10.807 -6.757 3.621 1.00 24.04 C ATOM 642 CG ASP A 41 -12.166 -6.373 4.242 1.00 63.44 C ATOM 643 OD1 ASP A 41 -12.251 -6.200 5.475 1.00 53.44 O ATOM 644 OD2 ASP A 41 -13.156 -6.230 3.487 1.00 71.23 O ATOM 0 H ASP A 41 -8.551 -6.891 2.572 1.00 64.10 H new ATOM 0 HA ASP A 41 -10.863 -5.379 1.963 1.00 71.12 H new ATOM 0 HB2 ASP A 41 -10.936 -7.631 2.983 1.00 24.04 H new ATOM 0 HB3 ASP A 41 -10.116 -7.041 4.414 1.00 24.04 H new ATOM 649 N GLN A 42 -9.065 -4.349 4.565 1.00 60.32 N ATOM 650 CA GLN A 42 -8.797 -3.199 5.447 1.00 61.24 C ATOM 651 C GLN A 42 -8.389 -1.946 4.626 1.00 63.02 C ATOM 652 O GLN A 42 -8.727 -0.829 4.999 1.00 1.42 O ATOM 653 CB GLN A 42 -7.712 -3.560 6.500 1.00 30.21 C ATOM 654 CG GLN A 42 -6.318 -3.819 5.908 1.00 71.20 C ATOM 655 CD GLN A 42 -5.259 -4.271 6.909 1.00 65.15 C ATOM 656 OE1 GLN A 42 -5.551 -4.945 7.901 1.00 54.32 O ATOM 657 NE2 GLN A 42 -4.012 -3.883 6.667 1.00 24.22 N ATOM 0 H GLN A 42 -8.443 -5.143 4.718 1.00 60.32 H new ATOM 0 HA GLN A 42 -9.717 -2.956 5.978 1.00 61.24 H new ATOM 0 HB2 GLN A 42 -7.641 -2.749 7.224 1.00 30.21 H new ATOM 0 HB3 GLN A 42 -8.033 -4.447 7.046 1.00 30.21 H new ATOM 0 HG2 GLN A 42 -6.407 -4.578 5.130 1.00 71.20 H new ATOM 0 HG3 GLN A 42 -5.971 -2.906 5.424 1.00 71.20 H new ATOM 0 HE21 GLN A 42 -3.803 -3.327 5.838 1.00 24.22 H new ATOM 0 HE22 GLN A 42 -3.264 -4.142 7.310 1.00 24.22 H new ATOM 666 N VAL A 43 -7.701 -2.168 3.484 1.00 11.11 N ATOM 667 CA VAL A 43 -7.254 -1.093 2.580 1.00 2.45 C ATOM 668 C VAL A 43 -8.457 -0.332 1.978 1.00 20.22 C ATOM 669 O VAL A 43 -8.541 0.885 2.121 1.00 23.40 O ATOM 670 CB VAL A 43 -6.318 -1.663 1.442 1.00 3.11 C ATOM 671 CG1 VAL A 43 -6.072 -0.634 0.321 1.00 71.24 C ATOM 672 CG2 VAL A 43 -4.970 -2.157 2.022 1.00 40.10 C ATOM 0 H VAL A 43 -7.441 -3.101 3.165 1.00 11.11 H new ATOM 0 HA VAL A 43 -6.673 -0.383 3.169 1.00 2.45 H new ATOM 0 HB VAL A 43 -6.842 -2.512 1.002 1.00 3.11 H new ATOM 0 HG11 VAL A 43 -5.423 -1.071 -0.438 1.00 71.24 H new ATOM 0 HG12 VAL A 43 -7.023 -0.355 -0.132 1.00 71.24 H new ATOM 0 HG13 VAL A 43 -5.595 0.252 0.739 1.00 71.24 H new ATOM 0 HG21 VAL A 43 -4.347 -2.544 1.216 1.00 40.10 H new ATOM 0 HG22 VAL A 43 -4.458 -1.328 2.510 1.00 40.10 H new ATOM 0 HG23 VAL A 43 -5.155 -2.948 2.749 1.00 40.10 H new ATOM 682 N ARG A 44 -9.404 -1.066 1.345 1.00 14.21 N ATOM 683 CA ARG A 44 -10.590 -0.453 0.696 1.00 32.51 C ATOM 684 C ARG A 44 -11.561 0.191 1.718 1.00 72.34 C ATOM 685 O ARG A 44 -12.361 1.063 1.353 1.00 2.14 O ATOM 686 CB ARG A 44 -11.343 -1.474 -0.208 1.00 50.41 C ATOM 687 CG ARG A 44 -11.686 -2.827 0.480 1.00 12.34 C ATOM 688 CD ARG A 44 -13.025 -3.437 0.029 1.00 62.34 C ATOM 689 NE ARG A 44 -14.168 -2.704 0.597 1.00 73.43 N ATOM 690 CZ ARG A 44 -15.434 -2.771 0.163 1.00 75.44 C ATOM 691 NH1 ARG A 44 -15.769 -3.522 -0.881 1.00 61.22 N ATOM 692 NH2 ARG A 44 -16.370 -2.105 0.814 1.00 15.24 N ATOM 0 H ARG A 44 -9.370 -2.083 1.270 1.00 14.21 H new ATOM 0 HA ARG A 44 -10.209 0.348 0.063 1.00 32.51 H new ATOM 0 HB2 ARG A 44 -12.268 -1.015 -0.557 1.00 50.41 H new ATOM 0 HB3 ARG A 44 -10.734 -1.675 -1.090 1.00 50.41 H new ATOM 0 HG2 ARG A 44 -10.887 -3.540 0.276 1.00 12.34 H new ATOM 0 HG3 ARG A 44 -11.712 -2.678 1.559 1.00 12.34 H new ATOM 0 HD2 ARG A 44 -13.085 -3.421 -1.059 1.00 62.34 H new ATOM 0 HD3 ARG A 44 -13.072 -4.482 0.336 1.00 62.34 H new ATOM 0 HE ARG A 44 -13.980 -2.091 1.391 1.00 73.43 H new ATOM 0 HH11 ARG A 44 -15.056 -4.063 -1.370 1.00 61.22 H new ATOM 0 HH12 ARG A 44 -16.739 -3.557 -1.193 1.00 61.22 H new ATOM 0 HH21 ARG A 44 -16.124 -1.550 1.634 1.00 15.24 H new ATOM 0 HH22 ARG A 44 -17.339 -2.145 0.497 1.00 15.24 H new ATOM 706 N GLU A 45 -11.485 -0.243 2.990 1.00 23.43 N ATOM 707 CA GLU A 45 -12.291 0.339 4.086 1.00 21.52 C ATOM 708 C GLU A 45 -11.667 1.655 4.606 1.00 11.31 C ATOM 709 O GLU A 45 -12.384 2.623 4.891 1.00 43.21 O ATOM 710 CB GLU A 45 -12.445 -0.691 5.226 1.00 1.03 C ATOM 711 CG GLU A 45 -13.167 -1.991 4.818 1.00 31.35 C ATOM 712 CD GLU A 45 -14.642 -1.796 4.435 1.00 10.30 C ATOM 713 OE1 GLU A 45 -14.941 -1.530 3.250 1.00 32.50 O ATOM 714 OE2 GLU A 45 -15.515 -1.914 5.319 1.00 60.04 O ATOM 0 H GLU A 45 -10.870 -1.000 3.288 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.280 0.583 3.697 1.00 21.52 H new ATOM 0 HB2 GLU A 45 -11.455 -0.944 5.607 1.00 1.03 H new ATOM 0 HB3 GLU A 45 -12.993 -0.228 6.046 1.00 1.03 H new ATOM 0 HG2 GLU A 45 -12.640 -2.437 3.975 1.00 31.35 H new ATOM 0 HG3 GLU A 45 -13.108 -2.701 5.643 1.00 31.35 H new ATOM 721 N HIS A 46 -10.321 1.681 4.708 1.00 34.53 N ATOM 722 CA HIS A 46 -9.559 2.896 5.101 1.00 13.21 C ATOM 723 C HIS A 46 -9.528 3.919 3.944 1.00 11.32 C ATOM 724 O HIS A 46 -9.308 5.114 4.154 1.00 13.50 O ATOM 725 CB HIS A 46 -8.109 2.536 5.535 1.00 74.10 C ATOM 726 CG HIS A 46 -8.025 1.637 6.749 1.00 41.31 C ATOM 727 ND1 HIS A 46 -7.158 0.565 6.838 1.00 25.35 N ATOM 728 CD2 HIS A 46 -8.705 1.653 7.923 1.00 1.43 C ATOM 729 CE1 HIS A 46 -7.318 -0.036 7.997 1.00 15.44 C ATOM 730 NE2 HIS A 46 -8.248 0.603 8.673 1.00 75.24 N ATOM 0 H HIS A 46 -9.731 0.869 4.523 1.00 34.53 H new ATOM 0 HA HIS A 46 -10.069 3.344 5.953 1.00 13.21 H new ATOM 0 HB2 HIS A 46 -7.604 2.048 4.701 1.00 74.10 H new ATOM 0 HB3 HIS A 46 -7.565 3.458 5.742 1.00 74.10 H new ATOM 0 HD2 HIS A 46 -9.466 2.363 8.212 1.00 1.43 H new ATOM 0 HE1 HIS A 46 -6.777 -0.907 8.336 1.00 15.44 H new ATOM 0 HE2 HIS A 46 -8.576 0.356 9.607 1.00 75.24 H new ATOM 739 N ALA A 47 -9.739 3.409 2.728 1.00 72.14 N ATOM 740 CA ALA A 47 -9.806 4.190 1.490 1.00 74.10 C ATOM 741 C ALA A 47 -10.923 5.228 1.535 1.00 0.12 C ATOM 742 O ALA A 47 -10.735 6.384 1.144 1.00 24.13 O ATOM 743 CB ALA A 47 -10.046 3.233 0.329 1.00 4.23 C ATOM 0 H ALA A 47 -9.872 2.410 2.573 1.00 72.14 H new ATOM 0 HA ALA A 47 -8.865 4.726 1.365 1.00 74.10 H new ATOM 0 HB1 ALA A 47 -10.099 3.797 -0.602 1.00 4.23 H new ATOM 0 HB2 ALA A 47 -9.227 2.516 0.273 1.00 4.23 H new ATOM 0 HB3 ALA A 47 -10.984 2.700 0.484 1.00 4.23 H new ATOM 749 N ARG A 48 -12.084 4.776 2.040 1.00 3.41 N ATOM 750 CA ARG A 48 -13.301 5.584 2.123 1.00 14.22 C ATOM 751 C ARG A 48 -13.155 6.750 3.126 1.00 14.24 C ATOM 752 O ARG A 48 -13.879 7.730 3.025 1.00 41.10 O ATOM 753 CB ARG A 48 -14.506 4.678 2.473 1.00 44.05 C ATOM 754 CG ARG A 48 -14.845 3.649 1.366 1.00 45.32 C ATOM 755 CD ARG A 48 -16.019 2.728 1.732 1.00 61.22 C ATOM 756 NE ARG A 48 -16.441 1.898 0.586 1.00 35.12 N ATOM 757 CZ ARG A 48 -17.344 0.902 0.634 1.00 1.32 C ATOM 758 NH1 ARG A 48 -17.939 0.573 1.783 1.00 4.10 N ATOM 759 NH2 ARG A 48 -17.662 0.251 -0.482 1.00 33.30 N ATOM 0 H ARG A 48 -12.199 3.830 2.404 1.00 3.41 H new ATOM 0 HA ARG A 48 -13.477 6.040 1.149 1.00 14.22 H new ATOM 0 HB2 ARG A 48 -14.294 4.146 3.400 1.00 44.05 H new ATOM 0 HB3 ARG A 48 -15.380 5.303 2.657 1.00 44.05 H new ATOM 0 HG2 ARG A 48 -15.083 4.181 0.445 1.00 45.32 H new ATOM 0 HG3 ARG A 48 -13.964 3.040 1.163 1.00 45.32 H new ATOM 0 HD2 ARG A 48 -15.730 2.083 2.562 1.00 61.22 H new ATOM 0 HD3 ARG A 48 -16.861 3.330 2.075 1.00 61.22 H new ATOM 0 HE ARG A 48 -16.012 2.096 -0.318 1.00 35.12 H new ATOM 0 HH11 ARG A 48 -17.711 1.079 2.639 1.00 4.10 H new ATOM 0 HH12 ARG A 48 -18.622 -0.184 1.805 1.00 4.10 H new ATOM 0 HH21 ARG A 48 -17.222 0.508 -1.366 1.00 33.30 H new ATOM 0 HH22 ARG A 48 -18.346 -0.505 -0.454 1.00 33.30 H new ATOM 773 N GLU A 49 -12.194 6.642 4.071 1.00 1.40 N ATOM 774 CA GLU A 49 -11.853 7.748 4.992 1.00 41.44 C ATOM 775 C GLU A 49 -11.266 8.934 4.205 1.00 75.41 C ATOM 776 O GLU A 49 -11.840 10.022 4.200 1.00 43.52 O ATOM 777 CB GLU A 49 -10.837 7.290 6.072 1.00 33.05 C ATOM 778 CG GLU A 49 -11.350 6.199 7.018 1.00 21.33 C ATOM 779 CD GLU A 49 -10.306 5.823 8.076 1.00 64.52 C ATOM 780 OE1 GLU A 49 -9.613 4.802 7.915 1.00 11.14 O ATOM 781 OE2 GLU A 49 -10.140 6.577 9.056 1.00 73.15 O ATOM 0 H GLU A 49 -11.640 5.798 4.215 1.00 1.40 H new ATOM 0 HA GLU A 49 -12.771 8.059 5.491 1.00 41.44 H new ATOM 0 HB2 GLU A 49 -9.939 6.926 5.574 1.00 33.05 H new ATOM 0 HB3 GLU A 49 -10.544 8.156 6.665 1.00 33.05 H new ATOM 0 HG2 GLU A 49 -12.259 6.544 7.511 1.00 21.33 H new ATOM 0 HG3 GLU A 49 -11.617 5.314 6.441 1.00 21.33 H new ATOM 788 N LEU A 50 -10.145 8.667 3.495 1.00 12.53 N ATOM 789 CA LEU A 50 -9.378 9.687 2.739 1.00 11.32 C ATOM 790 C LEU A 50 -10.209 10.275 1.586 1.00 42.30 C ATOM 791 O LEU A 50 -10.030 11.438 1.204 1.00 50.32 O ATOM 792 CB LEU A 50 -8.058 9.066 2.203 1.00 72.32 C ATOM 793 CG LEU A 50 -7.101 8.472 3.286 1.00 30.41 C ATOM 794 CD1 LEU A 50 -5.847 7.860 2.637 1.00 22.03 C ATOM 795 CD2 LEU A 50 -6.719 9.529 4.349 1.00 41.43 C ATOM 0 H LEU A 50 -9.744 7.731 3.430 1.00 12.53 H new ATOM 0 HA LEU A 50 -9.137 10.505 3.418 1.00 11.32 H new ATOM 0 HB2 LEU A 50 -8.310 8.277 1.495 1.00 72.32 H new ATOM 0 HB3 LEU A 50 -7.517 9.832 1.647 1.00 72.32 H new ATOM 0 HG LEU A 50 -7.639 7.675 3.798 1.00 30.41 H new ATOM 0 HD11 LEU A 50 -5.198 7.454 3.412 1.00 22.03 H new ATOM 0 HD12 LEU A 50 -6.142 7.062 1.956 1.00 22.03 H new ATOM 0 HD13 LEU A 50 -5.312 8.630 2.082 1.00 22.03 H new ATOM 0 HD21 LEU A 50 -6.053 9.080 5.086 1.00 41.43 H new ATOM 0 HD22 LEU A 50 -6.214 10.365 3.865 1.00 41.43 H new ATOM 0 HD23 LEU A 50 -7.620 9.887 4.846 1.00 41.43 H new ATOM 807 N GLN A 51 -11.115 9.434 1.061 1.00 15.23 N ATOM 808 CA GLN A 51 -12.117 9.809 0.051 1.00 31.54 C ATOM 809 C GLN A 51 -13.035 10.935 0.584 1.00 20.55 C ATOM 810 O GLN A 51 -13.200 11.975 -0.061 1.00 21.53 O ATOM 811 CB GLN A 51 -12.959 8.553 -0.297 1.00 31.01 C ATOM 812 CG GLN A 51 -14.096 8.775 -1.305 1.00 52.23 C ATOM 813 CD GLN A 51 -15.006 7.554 -1.436 1.00 5.41 C ATOM 814 OE1 GLN A 51 -16.024 7.442 -0.753 1.00 42.12 O ATOM 815 NE2 GLN A 51 -14.624 6.609 -2.276 1.00 1.24 N ATOM 0 H GLN A 51 -11.172 8.453 1.333 1.00 15.23 H new ATOM 0 HA GLN A 51 -11.614 10.181 -0.841 1.00 31.54 H new ATOM 0 HB2 GLN A 51 -12.291 7.788 -0.693 1.00 31.01 H new ATOM 0 HB3 GLN A 51 -13.386 8.157 0.624 1.00 31.01 H new ATOM 0 HG2 GLN A 51 -14.689 9.635 -0.995 1.00 52.23 H new ATOM 0 HG3 GLN A 51 -13.672 9.015 -2.280 1.00 52.23 H new ATOM 0 HE21 GLN A 51 -13.775 6.731 -2.829 1.00 1.24 H new ATOM 0 HE22 GLN A 51 -15.178 5.758 -2.372 1.00 1.24 H new ATOM 824 N LYS A 52 -13.593 10.713 1.795 1.00 60.22 N ATOM 825 CA LYS A 52 -14.561 11.636 2.431 1.00 0.10 C ATOM 826 C LYS A 52 -13.866 12.878 3.025 1.00 61.41 C ATOM 827 O LYS A 52 -14.479 13.943 3.149 1.00 4.41 O ATOM 828 CB LYS A 52 -15.362 10.889 3.525 1.00 34.44 C ATOM 829 CG LYS A 52 -16.233 9.732 2.987 1.00 12.54 C ATOM 830 CD LYS A 52 -17.072 9.049 4.087 1.00 51.32 C ATOM 831 CE LYS A 52 -18.135 9.984 4.679 1.00 45.32 C ATOM 832 NZ LYS A 52 -19.038 10.523 3.623 1.00 52.11 N ATOM 0 H LYS A 52 -13.385 9.889 2.359 1.00 60.22 H new ATOM 0 HA LYS A 52 -15.245 11.986 1.658 1.00 0.10 H new ATOM 0 HB2 LYS A 52 -14.665 10.493 4.264 1.00 34.44 H new ATOM 0 HB3 LYS A 52 -16.003 11.603 4.042 1.00 34.44 H new ATOM 0 HG2 LYS A 52 -16.899 10.115 2.214 1.00 12.54 H new ATOM 0 HG3 LYS A 52 -15.590 8.990 2.514 1.00 12.54 H new ATOM 0 HD2 LYS A 52 -17.559 8.166 3.673 1.00 51.32 H new ATOM 0 HD3 LYS A 52 -16.411 8.705 4.883 1.00 51.32 H new ATOM 0 HE2 LYS A 52 -18.723 9.444 5.421 1.00 45.32 H new ATOM 0 HE3 LYS A 52 -17.647 10.809 5.198 1.00 45.32 H new ATOM 0 HZ1 LYS A 52 -19.875 10.951 4.067 1.00 52.11 H new ATOM 0 HZ2 LYS A 52 -18.533 11.244 3.069 1.00 52.11 H new ATOM 0 HZ3 LYS A 52 -19.337 9.750 2.994 1.00 52.11 H new ATOM 846 N GLN A 53 -12.587 12.720 3.396 1.00 1.31 N ATOM 847 CA GLN A 53 -11.726 13.836 3.837 1.00 31.21 C ATOM 848 C GLN A 53 -11.306 14.689 2.627 1.00 72.25 C ATOM 849 O GLN A 53 -10.972 15.873 2.773 1.00 33.31 O ATOM 850 CB GLN A 53 -10.478 13.282 4.574 1.00 12.12 C ATOM 851 CG GLN A 53 -10.791 12.545 5.891 1.00 14.25 C ATOM 852 CD GLN A 53 -9.556 11.884 6.510 1.00 43.41 C ATOM 853 OE1 GLN A 53 -9.254 10.722 6.243 1.00 71.10 O ATOM 854 NE2 GLN A 53 -8.828 12.621 7.334 1.00 2.32 N ATOM 0 H GLN A 53 -12.116 11.815 3.400 1.00 1.31 H new ATOM 0 HA GLN A 53 -12.285 14.468 4.527 1.00 31.21 H new ATOM 0 HB2 GLN A 53 -9.950 12.600 3.907 1.00 12.12 H new ATOM 0 HB3 GLN A 53 -9.800 14.109 4.787 1.00 12.12 H new ATOM 0 HG2 GLN A 53 -11.216 13.251 6.605 1.00 14.25 H new ATOM 0 HG3 GLN A 53 -11.549 11.785 5.705 1.00 14.25 H new ATOM 0 HE21 GLN A 53 -9.103 13.582 7.537 1.00 2.32 H new ATOM 0 HE22 GLN A 53 -7.992 12.228 7.766 1.00 2.32 H new ATOM 863 N GLY A 54 -11.325 14.055 1.435 1.00 1.53 N ATOM 864 CA GLY A 54 -10.985 14.718 0.179 1.00 12.11 C ATOM 865 C GLY A 54 -9.499 15.011 0.036 1.00 51.21 C ATOM 866 O GLY A 54 -9.115 15.925 -0.709 1.00 61.22 O ATOM 0 H GLY A 54 -11.577 13.073 1.327 1.00 1.53 H new ATOM 0 HA2 GLY A 54 -11.306 14.092 -0.653 1.00 12.11 H new ATOM 0 HA3 GLY A 54 -11.541 15.653 0.108 1.00 12.11 H new ATOM 870 N ILE A 55 -8.668 14.231 0.759 1.00 72.45 N ATOM 871 CA ILE A 55 -7.207 14.364 0.725 1.00 15.34 C ATOM 872 C ILE A 55 -6.704 13.844 -0.625 1.00 12.35 C ATOM 873 O ILE A 55 -6.702 12.633 -0.868 1.00 75.43 O ATOM 874 CB ILE A 55 -6.505 13.586 1.915 1.00 33.33 C ATOM 875 CG1 ILE A 55 -7.012 14.127 3.292 1.00 55.14 C ATOM 876 CG2 ILE A 55 -4.955 13.675 1.817 1.00 70.01 C ATOM 877 CD1 ILE A 55 -6.466 13.405 4.517 1.00 20.03 C ATOM 0 H ILE A 55 -8.997 13.493 1.381 1.00 72.45 H new ATOM 0 HA ILE A 55 -6.950 15.416 0.848 1.00 15.34 H new ATOM 0 HB ILE A 55 -6.775 12.533 1.836 1.00 33.33 H new ATOM 0 HG12 ILE A 55 -6.751 15.183 3.367 1.00 55.14 H new ATOM 0 HG13 ILE A 55 -8.100 14.065 3.309 1.00 55.14 H new ATOM 0 HG21 ILE A 55 -4.506 13.131 2.648 1.00 70.01 H new ATOM 0 HG22 ILE A 55 -4.624 13.237 0.875 1.00 70.01 H new ATOM 0 HG23 ILE A 55 -4.647 14.720 1.859 1.00 70.01 H new ATOM 0 HD11 ILE A 55 -6.878 13.856 5.419 1.00 20.03 H new ATOM 0 HD12 ILE A 55 -6.749 12.353 4.476 1.00 20.03 H new ATOM 0 HD13 ILE A 55 -5.379 13.488 4.534 1.00 20.03 H new ATOM 889 N HIS A 56 -6.362 14.775 -1.527 1.00 51.42 N ATOM 890 CA HIS A 56 -5.775 14.428 -2.815 1.00 71.31 C ATOM 891 C HIS A 56 -4.285 14.135 -2.617 1.00 25.51 C ATOM 892 O HIS A 56 -3.556 14.961 -2.088 1.00 11.41 O ATOM 893 CB HIS A 56 -5.976 15.555 -3.855 1.00 22.20 C ATOM 894 CG HIS A 56 -5.374 15.218 -5.201 1.00 42.42 C ATOM 895 ND1 HIS A 56 -6.017 14.437 -6.134 1.00 14.51 N ATOM 896 CD2 HIS A 56 -4.164 15.510 -5.738 1.00 13.52 C ATOM 897 CE1 HIS A 56 -5.233 14.262 -7.177 1.00 44.14 C ATOM 898 NE2 HIS A 56 -4.104 14.903 -6.962 1.00 15.44 N ATOM 0 H HIS A 56 -6.485 15.777 -1.381 1.00 51.42 H new ATOM 0 HA HIS A 56 -6.278 13.543 -3.204 1.00 71.31 H new ATOM 0 HB2 HIS A 56 -7.042 15.747 -3.976 1.00 22.20 H new ATOM 0 HB3 HIS A 56 -5.527 16.475 -3.480 1.00 22.20 H new ATOM 0 HD2 HIS A 56 -3.390 16.111 -5.283 1.00 13.52 H new ATOM 0 HE1 HIS A 56 -5.475 13.689 -8.060 1.00 44.14 H new ATOM 0 HE2 HIS A 56 -3.312 14.941 -7.604 1.00 15.44 H new ATOM 907 N PHE A 57 -3.870 12.950 -3.035 1.00 21.04 N ATOM 908 CA PHE A 57 -2.465 12.535 -3.050 1.00 45.02 C ATOM 909 C PHE A 57 -2.195 11.781 -4.347 1.00 71.12 C ATOM 910 O PHE A 57 -3.133 11.405 -5.073 1.00 34.13 O ATOM 911 CB PHE A 57 -2.134 11.655 -1.808 1.00 4.53 C ATOM 912 CG PHE A 57 -3.075 10.463 -1.607 1.00 44.13 C ATOM 913 CD1 PHE A 57 -2.839 9.235 -2.236 1.00 42.42 C ATOM 914 CD2 PHE A 57 -4.210 10.581 -0.800 1.00 73.52 C ATOM 915 CE1 PHE A 57 -3.704 8.176 -2.066 1.00 51.32 C ATOM 916 CE2 PHE A 57 -5.069 9.517 -0.633 1.00 54.14 C ATOM 917 CZ PHE A 57 -4.815 8.323 -1.266 1.00 54.50 C ATOM 0 H PHE A 57 -4.507 12.232 -3.381 1.00 21.04 H new ATOM 0 HA PHE A 57 -1.821 13.413 -3.001 1.00 45.02 H new ATOM 0 HB2 PHE A 57 -1.113 11.284 -1.902 1.00 4.53 H new ATOM 0 HB3 PHE A 57 -2.165 12.281 -0.916 1.00 4.53 H new ATOM 0 HD1 PHE A 57 -1.968 9.116 -2.863 1.00 42.42 H new ATOM 0 HD2 PHE A 57 -4.416 11.517 -0.302 1.00 73.52 H new ATOM 0 HE1 PHE A 57 -3.511 7.234 -2.558 1.00 51.32 H new ATOM 0 HE2 PHE A 57 -5.942 9.621 -0.005 1.00 54.14 H new ATOM 0 HZ PHE A 57 -5.493 7.493 -1.134 1.00 54.50 H new ATOM 927 N GLU A 58 -0.915 11.555 -4.617 1.00 2.11 N ATOM 928 CA GLU A 58 -0.477 10.730 -5.735 1.00 3.34 C ATOM 929 C GLU A 58 0.837 10.042 -5.367 1.00 73.53 C ATOM 930 O GLU A 58 1.711 10.654 -4.744 1.00 73.22 O ATOM 931 CB GLU A 58 -0.312 11.575 -7.030 1.00 1.35 C ATOM 932 CG GLU A 58 -0.037 10.735 -8.296 1.00 74.21 C ATOM 933 CD GLU A 58 -1.140 9.694 -8.568 1.00 55.51 C ATOM 934 OE1 GLU A 58 -0.963 8.501 -8.221 1.00 42.23 O ATOM 935 OE2 GLU A 58 -2.205 10.067 -9.102 1.00 32.45 O ATOM 0 H GLU A 58 -0.149 11.940 -4.064 1.00 2.11 H new ATOM 0 HA GLU A 58 -1.238 9.976 -5.936 1.00 3.34 H new ATOM 0 HB2 GLU A 58 -1.216 12.163 -7.186 1.00 1.35 H new ATOM 0 HB3 GLU A 58 0.507 12.281 -6.889 1.00 1.35 H new ATOM 0 HG2 GLU A 58 0.051 11.399 -9.156 1.00 74.21 H new ATOM 0 HG3 GLU A 58 0.920 10.225 -8.188 1.00 74.21 H new ATOM 942 N VAL A 59 0.949 8.765 -5.755 1.00 71.54 N ATOM 943 CA VAL A 59 2.155 7.957 -5.569 1.00 2.20 C ATOM 944 C VAL A 59 3.269 8.469 -6.520 1.00 71.15 C ATOM 945 O VAL A 59 3.179 8.338 -7.745 1.00 25.10 O ATOM 946 CB VAL A 59 1.834 6.416 -5.772 1.00 24.42 C ATOM 947 CG1 VAL A 59 1.181 6.103 -7.139 1.00 55.31 C ATOM 948 CG2 VAL A 59 3.081 5.546 -5.549 1.00 52.25 C ATOM 0 H VAL A 59 0.191 8.259 -6.214 1.00 71.54 H new ATOM 0 HA VAL A 59 2.518 8.062 -4.547 1.00 2.20 H new ATOM 0 HB VAL A 59 1.096 6.163 -5.010 1.00 24.42 H new ATOM 0 HG11 VAL A 59 0.988 5.033 -7.213 1.00 55.31 H new ATOM 0 HG12 VAL A 59 0.241 6.648 -7.227 1.00 55.31 H new ATOM 0 HG13 VAL A 59 1.853 6.407 -7.941 1.00 55.31 H new ATOM 0 HG21 VAL A 59 2.824 4.497 -5.696 1.00 52.25 H new ATOM 0 HG22 VAL A 59 3.856 5.833 -6.259 1.00 52.25 H new ATOM 0 HG23 VAL A 59 3.448 5.690 -4.533 1.00 52.25 H new ATOM 958 N LYS A 60 4.293 9.118 -5.936 1.00 53.03 N ATOM 959 CA LYS A 60 5.353 9.827 -6.697 1.00 41.35 C ATOM 960 C LYS A 60 6.594 8.948 -6.905 1.00 3.34 C ATOM 961 O LYS A 60 7.185 8.941 -7.992 1.00 13.52 O ATOM 962 CB LYS A 60 5.731 11.140 -5.967 1.00 65.12 C ATOM 963 CG LYS A 60 4.536 12.097 -5.748 1.00 73.34 C ATOM 964 CD LYS A 60 3.846 12.570 -7.060 1.00 43.14 C ATOM 965 CE LYS A 60 4.723 13.507 -7.914 1.00 41.42 C ATOM 966 NZ LYS A 60 4.929 14.827 -7.264 1.00 55.23 N ATOM 0 H LYS A 60 4.414 9.169 -4.925 1.00 53.03 H new ATOM 0 HA LYS A 60 4.958 10.063 -7.685 1.00 41.35 H new ATOM 0 HB2 LYS A 60 6.170 10.894 -5.000 1.00 65.12 H new ATOM 0 HB3 LYS A 60 6.498 11.657 -6.543 1.00 65.12 H new ATOM 0 HG2 LYS A 60 3.796 11.598 -5.122 1.00 73.34 H new ATOM 0 HG3 LYS A 60 4.882 12.972 -5.198 1.00 73.34 H new ATOM 0 HD2 LYS A 60 3.576 11.697 -7.654 1.00 43.14 H new ATOM 0 HD3 LYS A 60 2.918 13.084 -6.808 1.00 43.14 H new ATOM 0 HE2 LYS A 60 5.690 13.036 -8.091 1.00 41.42 H new ATOM 0 HE3 LYS A 60 4.256 13.652 -8.888 1.00 41.42 H new ATOM 0 HZ1 LYS A 60 5.592 15.393 -7.831 1.00 55.23 H new ATOM 0 HZ2 LYS A 60 4.019 15.326 -7.195 1.00 55.23 H new ATOM 0 HZ3 LYS A 60 5.321 14.687 -6.311 1.00 55.23 H new ATOM 980 N ARG A 61 6.964 8.178 -5.876 1.00 50.54 N ATOM 981 CA ARG A 61 8.185 7.347 -5.902 1.00 1.23 C ATOM 982 C ARG A 61 8.006 6.118 -5.016 1.00 62.33 C ATOM 983 O ARG A 61 7.523 6.235 -3.900 1.00 21.44 O ATOM 984 CB ARG A 61 9.402 8.189 -5.448 1.00 3.31 C ATOM 985 CG ARG A 61 10.711 7.399 -5.231 1.00 51.03 C ATOM 986 CD ARG A 61 11.916 8.313 -4.964 1.00 52.53 C ATOM 987 NE ARG A 61 11.614 9.370 -3.977 1.00 22.14 N ATOM 988 CZ ARG A 61 12.346 9.658 -2.894 1.00 51.23 C ATOM 989 NH1 ARG A 61 13.455 8.983 -2.609 1.00 15.11 N ATOM 990 NH2 ARG A 61 11.960 10.633 -2.096 1.00 51.30 N ATOM 0 H ARG A 61 6.435 8.109 -5.007 1.00 50.54 H new ATOM 0 HA ARG A 61 8.365 7.003 -6.921 1.00 1.23 H new ATOM 0 HB2 ARG A 61 9.584 8.964 -6.193 1.00 3.31 H new ATOM 0 HB3 ARG A 61 9.145 8.696 -4.518 1.00 3.31 H new ATOM 0 HG2 ARG A 61 10.584 6.717 -4.390 1.00 51.03 H new ATOM 0 HG3 ARG A 61 10.912 6.787 -6.111 1.00 51.03 H new ATOM 0 HD2 ARG A 61 12.752 7.712 -4.605 1.00 52.53 H new ATOM 0 HD3 ARG A 61 12.234 8.773 -5.900 1.00 52.53 H new ATOM 0 HE ARG A 61 10.775 9.929 -4.134 1.00 22.14 H new ATOM 0 HH11 ARG A 61 13.764 8.228 -3.221 1.00 15.11 H new ATOM 0 HH12 ARG A 61 13.997 9.220 -1.778 1.00 15.11 H new ATOM 0 HH21 ARG A 61 11.112 11.159 -2.307 1.00 51.30 H new ATOM 0 HH22 ARG A 61 12.509 10.862 -1.268 1.00 51.30 H new ATOM 1004 N VAL A 62 8.403 4.938 -5.543 1.00 4.05 N ATOM 1005 CA VAL A 62 8.286 3.641 -4.842 1.00 21.14 C ATOM 1006 C VAL A 62 9.659 2.952 -4.808 1.00 71.24 C ATOM 1007 O VAL A 62 10.207 2.611 -5.861 1.00 12.31 O ATOM 1008 CB VAL A 62 7.246 2.689 -5.558 1.00 34.25 C ATOM 1009 CG1 VAL A 62 7.034 1.374 -4.763 1.00 24.21 C ATOM 1010 CG2 VAL A 62 5.911 3.416 -5.796 1.00 71.02 C ATOM 0 H VAL A 62 8.816 4.859 -6.472 1.00 4.05 H new ATOM 0 HA VAL A 62 7.933 3.835 -3.829 1.00 21.14 H new ATOM 0 HB VAL A 62 7.661 2.417 -6.529 1.00 34.25 H new ATOM 0 HG11 VAL A 62 6.313 0.745 -5.285 1.00 24.21 H new ATOM 0 HG12 VAL A 62 7.983 0.844 -4.677 1.00 24.21 H new ATOM 0 HG13 VAL A 62 6.657 1.608 -3.767 1.00 24.21 H new ATOM 0 HG21 VAL A 62 5.212 2.741 -6.290 1.00 71.02 H new ATOM 0 HG22 VAL A 62 5.495 3.734 -4.840 1.00 71.02 H new ATOM 0 HG23 VAL A 62 6.079 4.289 -6.427 1.00 71.02 H new ATOM 1020 N GLU A 63 10.210 2.757 -3.606 1.00 15.02 N ATOM 1021 CA GLU A 63 11.508 2.092 -3.406 1.00 23.23 C ATOM 1022 C GLU A 63 11.317 0.963 -2.384 1.00 63.41 C ATOM 1023 O GLU A 63 11.068 1.221 -1.208 1.00 24.53 O ATOM 1024 CB GLU A 63 12.570 3.129 -2.928 1.00 2.00 C ATOM 1025 CG GLU A 63 12.854 4.251 -3.956 1.00 0.55 C ATOM 1026 CD GLU A 63 13.883 5.276 -3.471 1.00 15.35 C ATOM 1027 OE1 GLU A 63 15.074 5.181 -3.843 1.00 53.04 O ATOM 1028 OE2 GLU A 63 13.512 6.171 -2.695 1.00 72.43 O ATOM 0 H GLU A 63 9.768 3.057 -2.737 1.00 15.02 H new ATOM 0 HA GLU A 63 11.871 1.666 -4.341 1.00 23.23 H new ATOM 0 HB2 GLU A 63 12.230 3.580 -1.996 1.00 2.00 H new ATOM 0 HB3 GLU A 63 13.501 2.607 -2.708 1.00 2.00 H new ATOM 0 HG2 GLU A 63 13.209 3.802 -4.884 1.00 0.55 H new ATOM 0 HG3 GLU A 63 11.921 4.766 -4.188 1.00 0.55 H new ATOM 1035 N VAL A 64 11.412 -0.288 -2.856 1.00 73.12 N ATOM 1036 CA VAL A 64 11.123 -1.481 -2.044 1.00 70.01 C ATOM 1037 C VAL A 64 12.440 -2.060 -1.465 1.00 53.41 C ATOM 1038 O VAL A 64 13.330 -2.493 -2.206 1.00 41.14 O ATOM 1039 CB VAL A 64 10.300 -2.552 -2.883 1.00 13.32 C ATOM 1040 CG1 VAL A 64 10.922 -2.857 -4.267 1.00 4.25 C ATOM 1041 CG2 VAL A 64 10.088 -3.852 -2.083 1.00 64.13 C ATOM 0 H VAL A 64 11.692 -0.503 -3.813 1.00 73.12 H new ATOM 0 HA VAL A 64 10.492 -1.199 -1.201 1.00 70.01 H new ATOM 0 HB VAL A 64 9.328 -2.096 -3.073 1.00 13.32 H new ATOM 0 HG11 VAL A 64 10.311 -3.595 -4.786 1.00 4.25 H new ATOM 0 HG12 VAL A 64 10.964 -1.941 -4.857 1.00 4.25 H new ATOM 0 HG13 VAL A 64 11.930 -3.250 -4.134 1.00 4.25 H new ATOM 0 HG21 VAL A 64 9.522 -4.562 -2.686 1.00 64.13 H new ATOM 0 HG22 VAL A 64 11.056 -4.284 -1.827 1.00 64.13 H new ATOM 0 HG23 VAL A 64 9.536 -3.631 -1.169 1.00 64.13 H new ATOM 1051 N THR A 65 12.554 -2.002 -0.124 1.00 21.51 N ATOM 1052 CA THR A 65 13.747 -2.416 0.637 1.00 40.32 C ATOM 1053 C THR A 65 13.455 -3.712 1.412 1.00 54.11 C ATOM 1054 O THR A 65 12.392 -3.841 2.022 1.00 41.11 O ATOM 1055 CB THR A 65 14.146 -1.280 1.639 1.00 13.41 C ATOM 1056 OG1 THR A 65 14.311 -0.052 0.907 1.00 14.02 O ATOM 1057 CG2 THR A 65 15.448 -1.594 2.416 1.00 13.45 C ATOM 0 H THR A 65 11.802 -1.658 0.473 1.00 21.51 H new ATOM 0 HA THR A 65 14.569 -2.596 -0.056 1.00 40.32 H new ATOM 0 HB THR A 65 13.347 -1.195 2.376 1.00 13.41 H new ATOM 0 HG1 THR A 65 14.559 0.667 1.525 1.00 14.02 H new ATOM 0 HG21 THR A 65 15.674 -0.772 3.095 1.00 13.45 H new ATOM 0 HG22 THR A 65 15.317 -2.512 2.989 1.00 13.45 H new ATOM 0 HG23 THR A 65 16.270 -1.720 1.712 1.00 13.45 H new ATOM 1065 N THR A 66 14.397 -4.668 1.382 1.00 23.24 N ATOM 1066 CA THR A 66 14.284 -5.920 2.146 1.00 30.43 C ATOM 1067 C THR A 66 14.963 -5.738 3.524 1.00 2.35 C ATOM 1068 O THR A 66 16.173 -5.528 3.597 1.00 41.10 O ATOM 1069 CB THR A 66 14.922 -7.117 1.350 1.00 1.33 C ATOM 1070 OG1 THR A 66 16.291 -6.823 1.011 1.00 55.42 O ATOM 1071 CG2 THR A 66 14.134 -7.415 0.060 1.00 32.41 C ATOM 0 H THR A 66 15.253 -4.596 0.831 1.00 23.24 H new ATOM 0 HA THR A 66 13.231 -6.157 2.300 1.00 30.43 H new ATOM 0 HB THR A 66 14.884 -7.995 1.995 1.00 1.33 H new ATOM 0 HG1 THR A 66 16.713 -6.334 1.748 1.00 55.42 H new ATOM 0 HG21 THR A 66 14.600 -8.247 -0.467 1.00 32.41 H new ATOM 0 HG22 THR A 66 13.107 -7.676 0.313 1.00 32.41 H new ATOM 0 HG23 THR A 66 14.137 -6.533 -0.580 1.00 32.41 H new ATOM 1079 N ASP A 67 14.161 -5.766 4.604 1.00 1.45 N ATOM 1080 CA ASP A 67 14.649 -5.616 5.997 1.00 20.12 C ATOM 1081 C ASP A 67 14.478 -6.965 6.724 1.00 65.22 C ATOM 1082 O ASP A 67 13.434 -7.236 7.337 1.00 63.12 O ATOM 1083 CB ASP A 67 13.860 -4.474 6.704 1.00 23.15 C ATOM 1084 CG ASP A 67 14.294 -4.229 8.165 1.00 72.24 C ATOM 1085 OD1 ASP A 67 13.604 -4.690 9.100 1.00 31.22 O ATOM 1086 OD2 ASP A 67 15.318 -3.557 8.387 1.00 3.43 O ATOM 0 H ASP A 67 13.151 -5.894 4.540 1.00 1.45 H new ATOM 0 HA ASP A 67 15.705 -5.345 6.012 1.00 20.12 H new ATOM 0 HB2 ASP A 67 13.988 -3.552 6.137 1.00 23.15 H new ATOM 0 HB3 ASP A 67 12.797 -4.714 6.686 1.00 23.15 H new ATOM 1091 N GLY A 68 15.504 -7.823 6.594 1.00 53.40 N ATOM 1092 CA GLY A 68 15.444 -9.202 7.074 1.00 53.24 C ATOM 1093 C GLY A 68 14.489 -10.035 6.232 1.00 54.31 C ATOM 1094 O GLY A 68 14.653 -10.107 5.008 1.00 51.11 O ATOM 0 H GLY A 68 16.391 -7.576 6.155 1.00 53.40 H new ATOM 0 HA2 GLY A 68 16.440 -9.644 7.044 1.00 53.24 H new ATOM 0 HA3 GLY A 68 15.121 -9.214 8.115 1.00 53.24 H new ATOM 1098 N ASN A 69 13.482 -10.645 6.884 1.00 52.41 N ATOM 1099 CA ASN A 69 12.389 -11.371 6.192 1.00 51.11 C ATOM 1100 C ASN A 69 11.222 -10.413 5.869 1.00 32.10 C ATOM 1101 O ASN A 69 10.407 -10.701 4.995 1.00 12.34 O ATOM 1102 CB ASN A 69 11.860 -12.539 7.085 1.00 61.54 C ATOM 1103 CG ASN A 69 12.885 -13.649 7.368 1.00 35.44 C ATOM 1104 OD1 ASN A 69 14.098 -13.423 7.372 1.00 5.10 O ATOM 1105 ND2 ASN A 69 12.401 -14.858 7.632 1.00 25.05 N ATOM 0 H ASN A 69 13.399 -10.652 7.901 1.00 52.41 H new ATOM 0 HA ASN A 69 12.790 -11.777 5.263 1.00 51.11 H new ATOM 0 HB2 ASN A 69 11.521 -12.126 8.035 1.00 61.54 H new ATOM 0 HB3 ASN A 69 10.990 -12.982 6.601 1.00 61.54 H new ATOM 0 HD21 ASN A 69 13.037 -15.627 7.845 1.00 25.05 H new ATOM 0 HD22 ASN A 69 11.394 -15.017 7.622 1.00 25.05 H new ATOM 1112 N THR A 70 11.205 -9.244 6.526 1.00 52.04 N ATOM 1113 CA THR A 70 10.092 -8.290 6.451 1.00 45.33 C ATOM 1114 C THR A 70 10.408 -7.214 5.394 1.00 31.22 C ATOM 1115 O THR A 70 11.446 -6.556 5.467 1.00 75.01 O ATOM 1116 CB THR A 70 9.875 -7.613 7.833 1.00 25.22 C ATOM 1117 OG1 THR A 70 9.881 -8.605 8.865 1.00 62.11 O ATOM 1118 CG2 THR A 70 8.547 -6.849 7.883 1.00 55.41 C ATOM 0 H THR A 70 11.968 -8.933 7.127 1.00 52.04 H new ATOM 0 HA THR A 70 9.184 -8.824 6.170 1.00 45.33 H new ATOM 0 HB THR A 70 10.688 -6.904 7.986 1.00 25.22 H new ATOM 0 HG1 THR A 70 9.115 -9.205 8.746 1.00 62.11 H new ATOM 0 HG21 THR A 70 8.429 -6.389 8.864 1.00 55.41 H new ATOM 0 HG22 THR A 70 8.544 -6.075 7.116 1.00 55.41 H new ATOM 0 HG23 THR A 70 7.723 -7.540 7.705 1.00 55.41 H new ATOM 1126 N VAL A 71 9.515 -7.019 4.426 1.00 74.32 N ATOM 1127 CA VAL A 71 9.755 -6.109 3.290 1.00 71.11 C ATOM 1128 C VAL A 71 9.143 -4.713 3.565 1.00 54.43 C ATOM 1129 O VAL A 71 7.935 -4.556 3.718 1.00 64.11 O ATOM 1130 CB VAL A 71 9.215 -6.743 1.956 1.00 13.23 C ATOM 1131 CG1 VAL A 71 7.737 -7.122 2.053 1.00 24.24 C ATOM 1132 CG2 VAL A 71 9.500 -5.841 0.735 1.00 74.42 C ATOM 0 H VAL A 71 8.606 -7.481 4.400 1.00 74.32 H new ATOM 0 HA VAL A 71 10.829 -5.967 3.172 1.00 71.11 H new ATOM 0 HB VAL A 71 9.766 -7.671 1.804 1.00 13.23 H new ATOM 0 HG11 VAL A 71 7.410 -7.556 1.108 1.00 24.24 H new ATOM 0 HG12 VAL A 71 7.600 -7.850 2.853 1.00 24.24 H new ATOM 0 HG13 VAL A 71 7.146 -6.231 2.267 1.00 24.24 H new ATOM 0 HG21 VAL A 71 9.111 -6.315 -0.166 1.00 74.42 H new ATOM 0 HG22 VAL A 71 9.015 -4.875 0.875 1.00 74.42 H new ATOM 0 HG23 VAL A 71 10.575 -5.695 0.633 1.00 74.42 H new ATOM 1142 N ASN A 72 10.012 -3.704 3.659 1.00 51.13 N ATOM 1143 CA ASN A 72 9.625 -2.307 3.939 1.00 12.31 C ATOM 1144 C ASN A 72 9.661 -1.504 2.632 1.00 14.43 C ATOM 1145 O ASN A 72 10.740 -1.185 2.126 1.00 65.44 O ATOM 1146 CB ASN A 72 10.579 -1.658 4.986 1.00 44.41 C ATOM 1147 CG ASN A 72 10.545 -2.293 6.385 1.00 35.54 C ATOM 1148 OD1 ASN A 72 10.596 -1.584 7.392 1.00 2.31 O ATOM 1149 ND2 ASN A 72 10.518 -3.625 6.480 1.00 0.32 N ATOM 0 H ASN A 72 11.018 -3.829 3.542 1.00 51.13 H new ATOM 0 HA ASN A 72 8.617 -2.300 4.354 1.00 12.31 H new ATOM 0 HB2 ASN A 72 11.599 -1.710 4.606 1.00 44.41 H new ATOM 0 HB3 ASN A 72 10.327 -0.602 5.078 1.00 44.41 H new ATOM 0 HD21 ASN A 72 10.540 -4.071 7.397 1.00 0.32 H new ATOM 0 HD22 ASN A 72 10.476 -4.196 5.636 1.00 0.32 H new ATOM 1156 N VAL A 73 8.475 -1.212 2.078 1.00 34.22 N ATOM 1157 CA VAL A 73 8.337 -0.390 0.869 1.00 51.25 C ATOM 1158 C VAL A 73 8.229 1.093 1.265 1.00 1.24 C ATOM 1159 O VAL A 73 7.205 1.538 1.788 1.00 22.53 O ATOM 1160 CB VAL A 73 7.081 -0.812 0.008 1.00 45.03 C ATOM 1161 CG1 VAL A 73 6.981 0.030 -1.293 1.00 44.22 C ATOM 1162 CG2 VAL A 73 7.121 -2.323 -0.306 1.00 12.31 C ATOM 0 H VAL A 73 7.586 -1.539 2.456 1.00 34.22 H new ATOM 0 HA VAL A 73 9.223 -0.547 0.254 1.00 51.25 H new ATOM 0 HB VAL A 73 6.185 -0.611 0.596 1.00 45.03 H new ATOM 0 HG11 VAL A 73 6.107 -0.284 -1.863 1.00 44.22 H new ATOM 0 HG12 VAL A 73 6.887 1.085 -1.037 1.00 44.22 H new ATOM 0 HG13 VAL A 73 7.879 -0.119 -1.893 1.00 44.22 H new ATOM 0 HG21 VAL A 73 6.248 -2.595 -0.900 1.00 12.31 H new ATOM 0 HG22 VAL A 73 8.027 -2.554 -0.866 1.00 12.31 H new ATOM 0 HG23 VAL A 73 7.116 -2.889 0.626 1.00 12.31 H new ATOM 1172 N THR A 74 9.319 1.833 1.034 1.00 4.23 N ATOM 1173 CA THR A 74 9.387 3.271 1.284 1.00 2.30 C ATOM 1174 C THR A 74 8.862 4.015 0.044 1.00 1.54 C ATOM 1175 O THR A 74 9.531 4.069 -0.996 1.00 74.32 O ATOM 1176 CB THR A 74 10.856 3.699 1.599 1.00 45.00 C ATOM 1177 OG1 THR A 74 11.347 2.935 2.715 1.00 32.51 O ATOM 1178 CG2 THR A 74 10.980 5.198 1.915 1.00 62.14 C ATOM 0 H THR A 74 10.186 1.443 0.664 1.00 4.23 H new ATOM 0 HA THR A 74 8.772 3.523 2.148 1.00 2.30 H new ATOM 0 HB THR A 74 11.450 3.504 0.706 1.00 45.00 H new ATOM 0 HG1 THR A 74 11.133 3.401 3.550 1.00 32.51 H new ATOM 0 HG21 THR A 74 12.022 5.440 2.126 1.00 62.14 H new ATOM 0 HG22 THR A 74 10.639 5.780 1.059 1.00 62.14 H new ATOM 0 HG23 THR A 74 10.368 5.438 2.784 1.00 62.14 H new ATOM 1186 N VAL A 75 7.646 4.551 0.158 1.00 2.43 N ATOM 1187 CA VAL A 75 6.939 5.217 -0.946 1.00 55.04 C ATOM 1188 C VAL A 75 6.583 6.675 -0.569 1.00 65.14 C ATOM 1189 O VAL A 75 5.905 6.927 0.428 1.00 13.34 O ATOM 1190 CB VAL A 75 5.665 4.379 -1.372 1.00 33.25 C ATOM 1191 CG1 VAL A 75 4.833 3.916 -0.155 1.00 15.31 C ATOM 1192 CG2 VAL A 75 4.799 5.131 -2.407 1.00 71.11 C ATOM 0 H VAL A 75 7.115 4.537 1.029 1.00 2.43 H new ATOM 0 HA VAL A 75 7.600 5.265 -1.811 1.00 55.04 H new ATOM 0 HB VAL A 75 6.036 3.477 -1.859 1.00 33.25 H new ATOM 0 HG11 VAL A 75 3.971 3.346 -0.500 1.00 15.31 H new ATOM 0 HG12 VAL A 75 5.449 3.289 0.489 1.00 15.31 H new ATOM 0 HG13 VAL A 75 4.492 4.787 0.405 1.00 15.31 H new ATOM 0 HG21 VAL A 75 3.936 4.520 -2.672 1.00 71.11 H new ATOM 0 HG22 VAL A 75 4.459 6.074 -1.980 1.00 71.11 H new ATOM 0 HG23 VAL A 75 5.391 5.330 -3.301 1.00 71.11 H new ATOM 1202 N GLU A 76 7.096 7.630 -1.371 1.00 1.04 N ATOM 1203 CA GLU A 76 6.801 9.063 -1.232 1.00 13.35 C ATOM 1204 C GLU A 76 5.517 9.404 -2.006 1.00 61.44 C ATOM 1205 O GLU A 76 5.379 9.037 -3.179 1.00 14.32 O ATOM 1206 CB GLU A 76 7.979 9.912 -1.783 1.00 71.12 C ATOM 1207 CG GLU A 76 7.757 11.441 -1.662 1.00 62.24 C ATOM 1208 CD GLU A 76 8.747 12.273 -2.484 1.00 32.14 C ATOM 1209 OE1 GLU A 76 8.440 12.584 -3.652 1.00 40.32 O ATOM 1210 OE2 GLU A 76 9.827 12.614 -1.970 1.00 1.11 O ATOM 0 H GLU A 76 7.733 7.422 -2.140 1.00 1.04 H new ATOM 0 HA GLU A 76 6.663 9.292 -0.175 1.00 13.35 H new ATOM 0 HB2 GLU A 76 8.890 9.643 -1.248 1.00 71.12 H new ATOM 0 HB3 GLU A 76 8.138 9.659 -2.831 1.00 71.12 H new ATOM 0 HG2 GLU A 76 6.743 11.679 -1.982 1.00 62.24 H new ATOM 0 HG3 GLU A 76 7.836 11.729 -0.614 1.00 62.24 H new ATOM 1217 N LEU A 77 4.577 10.086 -1.336 1.00 54.23 N ATOM 1218 CA LEU A 77 3.349 10.607 -1.959 1.00 5.11 C ATOM 1219 C LEU A 77 3.277 12.112 -1.732 1.00 62.21 C ATOM 1220 O LEU A 77 3.556 12.582 -0.639 1.00 51.34 O ATOM 1221 CB LEU A 77 2.068 9.937 -1.400 1.00 20.10 C ATOM 1222 CG LEU A 77 1.935 8.391 -1.631 1.00 32.42 C ATOM 1223 CD1 LEU A 77 2.705 7.580 -0.575 1.00 1.13 C ATOM 1224 CD2 LEU A 77 0.461 7.976 -1.691 1.00 44.02 C ATOM 0 H LEU A 77 4.647 10.294 -0.340 1.00 54.23 H new ATOM 0 HA LEU A 77 3.394 10.377 -3.023 1.00 5.11 H new ATOM 0 HB2 LEU A 77 2.022 10.128 -0.328 1.00 20.10 H new ATOM 0 HB3 LEU A 77 1.203 10.426 -1.848 1.00 20.10 H new ATOM 0 HG LEU A 77 2.391 8.164 -2.594 1.00 32.42 H new ATOM 0 HD11 LEU A 77 2.584 6.515 -0.775 1.00 1.13 H new ATOM 0 HD12 LEU A 77 3.763 7.840 -0.617 1.00 1.13 H new ATOM 0 HD13 LEU A 77 2.314 7.810 0.416 1.00 1.13 H new ATOM 0 HD21 LEU A 77 0.392 6.900 -1.852 1.00 44.02 H new ATOM 0 HD22 LEU A 77 -0.028 8.235 -0.752 1.00 44.02 H new ATOM 0 HD23 LEU A 77 -0.031 8.498 -2.512 1.00 44.02 H new ATOM 1236 N GLU A 78 2.895 12.857 -2.769 1.00 31.13 N ATOM 1237 CA GLU A 78 2.752 14.322 -2.687 1.00 15.21 C ATOM 1238 C GLU A 78 1.271 14.646 -2.446 1.00 23.22 C ATOM 1239 O GLU A 78 0.438 14.480 -3.344 1.00 2.31 O ATOM 1240 CB GLU A 78 3.282 14.970 -3.985 1.00 72.31 C ATOM 1241 CG GLU A 78 3.445 16.492 -3.944 1.00 44.44 C ATOM 1242 CD GLU A 78 4.029 17.035 -5.252 1.00 74.41 C ATOM 1243 OE1 GLU A 78 5.265 17.175 -5.350 1.00 43.22 O ATOM 1244 OE2 GLU A 78 3.259 17.257 -6.208 1.00 33.22 O ATOM 0 H GLU A 78 2.676 12.471 -3.687 1.00 31.13 H new ATOM 0 HA GLU A 78 3.338 14.727 -1.862 1.00 15.21 H new ATOM 0 HB2 GLU A 78 4.248 14.525 -4.224 1.00 72.31 H new ATOM 0 HB3 GLU A 78 2.604 14.717 -4.800 1.00 72.31 H new ATOM 0 HG2 GLU A 78 2.477 16.957 -3.757 1.00 44.44 H new ATOM 0 HG3 GLU A 78 4.096 16.766 -3.114 1.00 44.44 H new ATOM 1251 N GLU A 79 0.946 15.039 -1.201 1.00 2.34 N ATOM 1252 CA GLU A 79 -0.438 15.283 -0.763 1.00 21.25 C ATOM 1253 C GLU A 79 -0.784 16.782 -0.831 1.00 31.42 C ATOM 1254 O GLU A 79 -0.178 17.606 -0.133 1.00 64.41 O ATOM 1255 CB GLU A 79 -0.664 14.738 0.678 1.00 43.03 C ATOM 1256 CG GLU A 79 -0.203 13.277 0.891 1.00 24.04 C ATOM 1257 CD GLU A 79 -0.769 12.644 2.173 1.00 13.25 C ATOM 1258 OE1 GLU A 79 -1.680 11.790 2.079 1.00 20.03 O ATOM 1259 OE2 GLU A 79 -0.322 13.016 3.284 1.00 41.04 O ATOM 0 H GLU A 79 1.639 15.196 -0.469 1.00 2.34 H new ATOM 0 HA GLU A 79 -1.102 14.750 -1.443 1.00 21.25 H new ATOM 0 HB2 GLU A 79 -0.134 15.379 1.383 1.00 43.03 H new ATOM 0 HB3 GLU A 79 -1.725 14.809 0.918 1.00 43.03 H new ATOM 0 HG2 GLU A 79 -0.507 12.678 0.033 1.00 24.04 H new ATOM 0 HG3 GLU A 79 0.886 13.248 0.930 1.00 24.04 H new ATOM 1266 N THR A 80 -1.738 17.121 -1.715 1.00 44.31 N ATOM 1267 CA THR A 80 -2.389 18.426 -1.753 1.00 1.02 C ATOM 1268 C THR A 80 -3.645 18.378 -0.857 1.00 25.21 C ATOM 1269 O THR A 80 -4.656 17.747 -1.208 1.00 42.10 O ATOM 1270 CB THR A 80 -2.778 18.824 -3.213 1.00 15.35 C ATOM 1271 OG1 THR A 80 -1.638 18.671 -4.068 1.00 24.22 O ATOM 1272 CG2 THR A 80 -3.279 20.278 -3.298 1.00 43.14 C ATOM 0 H THR A 80 -2.078 16.480 -2.432 1.00 44.31 H new ATOM 0 HA THR A 80 -1.695 19.181 -1.384 1.00 1.02 H new ATOM 0 HB THR A 80 -3.588 18.168 -3.531 1.00 15.35 H new ATOM 0 HG1 THR A 80 -1.881 18.919 -4.985 1.00 24.22 H new ATOM 0 HG21 THR A 80 -3.539 20.514 -4.330 1.00 43.14 H new ATOM 0 HG22 THR A 80 -4.159 20.397 -2.666 1.00 43.14 H new ATOM 0 HG23 THR A 80 -2.494 20.954 -2.958 1.00 43.14 H new ATOM 1280 N THR A 81 -3.540 18.990 0.325 1.00 35.40 N ATOM 1281 CA THR A 81 -4.624 19.065 1.319 1.00 11.21 C ATOM 1282 C THR A 81 -4.894 20.547 1.677 1.00 32.05 C ATOM 1283 O THR A 81 -3.976 21.271 2.081 1.00 53.44 O ATOM 1284 CB THR A 81 -4.277 18.216 2.598 1.00 43.11 C ATOM 1285 OG1 THR A 81 -5.246 18.440 3.640 1.00 70.52 O ATOM 1286 CG2 THR A 81 -2.850 18.489 3.133 1.00 74.23 C ATOM 0 H THR A 81 -2.685 19.457 0.628 1.00 35.40 H new ATOM 0 HA THR A 81 -5.532 18.639 0.891 1.00 11.21 H new ATOM 0 HB THR A 81 -4.311 17.171 2.291 1.00 43.11 H new ATOM 0 HG1 THR A 81 -5.013 17.902 4.425 1.00 70.52 H new ATOM 0 HG21 THR A 81 -2.669 17.875 4.015 1.00 74.23 H new ATOM 0 HG22 THR A 81 -2.119 18.242 2.363 1.00 74.23 H new ATOM 0 HG23 THR A 81 -2.756 19.542 3.398 1.00 74.23 H new ATOM 1294 N GLY A 82 -6.157 20.995 1.468 1.00 64.50 N ATOM 1295 CA GLY A 82 -6.577 22.376 1.745 1.00 3.02 C ATOM 1296 C GLY A 82 -5.984 23.382 0.756 1.00 74.42 C ATOM 1297 O GLY A 82 -6.589 23.685 -0.279 1.00 62.31 O ATOM 0 H GLY A 82 -6.905 20.405 1.104 1.00 64.50 H new ATOM 0 HA2 GLY A 82 -7.665 22.435 1.709 1.00 3.02 H new ATOM 0 HA3 GLY A 82 -6.276 22.647 2.757 1.00 3.02 H new ATOM 1301 N GLY A 83 -4.787 23.884 1.078 1.00 72.42 N ATOM 1302 CA GLY A 83 -4.051 24.822 0.227 1.00 4.24 C ATOM 1303 C GLY A 83 -2.549 24.615 0.308 1.00 22.22 C ATOM 1304 O GLY A 83 -1.767 25.466 -0.139 1.00 73.31 O ATOM 0 H GLY A 83 -4.299 23.649 1.942 1.00 72.42 H new ATOM 0 HA2 GLY A 83 -4.377 24.704 -0.806 1.00 4.24 H new ATOM 0 HA3 GLY A 83 -4.291 25.843 0.523 1.00 4.24 H new ATOM 1308 N THR A 84 -2.144 23.475 0.896 1.00 12.41 N ATOM 1309 CA THR A 84 -0.737 23.085 1.039 1.00 3.32 C ATOM 1310 C THR A 84 -0.477 21.794 0.248 1.00 10.24 C ATOM 1311 O THR A 84 -1.320 20.895 0.233 1.00 44.20 O ATOM 1312 CB THR A 84 -0.361 22.851 2.544 1.00 73.33 C ATOM 1313 OG1 THR A 84 -1.241 21.879 3.136 1.00 30.44 O ATOM 1314 CG2 THR A 84 -0.411 24.147 3.373 1.00 73.01 C ATOM 0 H THR A 84 -2.794 22.794 1.288 1.00 12.41 H new ATOM 0 HA THR A 84 -0.121 23.896 0.650 1.00 3.32 H new ATOM 0 HB THR A 84 0.666 22.485 2.555 1.00 73.33 H new ATOM 0 HG1 THR A 84 -2.009 21.730 2.545 1.00 30.44 H new ATOM 0 HG21 THR A 84 -0.142 23.928 4.407 1.00 73.01 H new ATOM 0 HG22 THR A 84 0.292 24.870 2.960 1.00 73.01 H new ATOM 0 HG23 THR A 84 -1.419 24.561 3.340 1.00 73.01 H new ATOM 1322 N THR A 85 0.677 21.730 -0.422 1.00 31.25 N ATOM 1323 CA THR A 85 1.158 20.516 -1.100 1.00 15.33 C ATOM 1324 C THR A 85 2.520 20.143 -0.489 1.00 75.52 C ATOM 1325 O THR A 85 3.448 20.958 -0.514 1.00 24.10 O ATOM 1326 CB THR A 85 1.281 20.753 -2.645 1.00 73.14 C ATOM 1327 OG1 THR A 85 0.021 21.235 -3.162 1.00 51.02 O ATOM 1328 CG2 THR A 85 1.666 19.482 -3.417 1.00 45.10 C ATOM 0 H THR A 85 1.311 22.524 -0.512 1.00 31.25 H new ATOM 0 HA THR A 85 0.450 19.700 -0.958 1.00 15.33 H new ATOM 0 HB THR A 85 2.076 21.485 -2.787 1.00 73.14 H new ATOM 0 HG1 THR A 85 -0.505 20.480 -3.499 1.00 51.02 H new ATOM 0 HG21 THR A 85 1.736 19.709 -4.481 1.00 45.10 H new ATOM 0 HG22 THR A 85 2.629 19.117 -3.060 1.00 45.10 H new ATOM 0 HG23 THR A 85 0.907 18.716 -3.259 1.00 45.10 H new ATOM 1336 N THR A 86 2.623 18.942 0.114 1.00 30.42 N ATOM 1337 CA THR A 86 3.857 18.483 0.786 1.00 15.02 C ATOM 1338 C THR A 86 4.067 16.978 0.539 1.00 74.22 C ATOM 1339 O THR A 86 3.101 16.207 0.498 1.00 1.43 O ATOM 1340 CB THR A 86 3.797 18.772 2.332 1.00 51.11 C ATOM 1341 OG1 THR A 86 3.487 20.157 2.551 1.00 64.40 O ATOM 1342 CG2 THR A 86 5.127 18.442 3.050 1.00 35.41 C ATOM 0 H THR A 86 1.860 18.266 0.150 1.00 30.42 H new ATOM 0 HA THR A 86 4.698 19.035 0.367 1.00 15.02 H new ATOM 0 HB THR A 86 3.022 18.127 2.747 1.00 51.11 H new ATOM 0 HG1 THR A 86 3.448 20.335 3.514 1.00 64.40 H new ATOM 0 HG21 THR A 86 5.030 18.660 4.114 1.00 35.41 H new ATOM 0 HG22 THR A 86 5.361 17.386 2.916 1.00 35.41 H new ATOM 0 HG23 THR A 86 5.929 19.048 2.627 1.00 35.41 H new ATOM 1350 N ASN A 87 5.339 16.580 0.375 1.00 73.23 N ATOM 1351 CA ASN A 87 5.735 15.183 0.171 1.00 13.02 C ATOM 1352 C ASN A 87 5.730 14.437 1.523 1.00 42.53 C ATOM 1353 O ASN A 87 6.627 14.625 2.352 1.00 1.54 O ATOM 1354 CB ASN A 87 7.142 15.130 -0.486 1.00 63.34 C ATOM 1355 CG ASN A 87 7.206 15.907 -1.807 1.00 43.45 C ATOM 1356 OD1 ASN A 87 7.484 17.107 -1.825 1.00 30.21 O ATOM 1357 ND2 ASN A 87 6.943 15.241 -2.916 1.00 13.11 N ATOM 0 H ASN A 87 6.127 17.228 0.381 1.00 73.23 H new ATOM 0 HA ASN A 87 5.024 14.693 -0.494 1.00 13.02 H new ATOM 0 HB2 ASN A 87 7.878 15.538 0.207 1.00 63.34 H new ATOM 0 HB3 ASN A 87 7.416 14.090 -0.667 1.00 63.34 H new ATOM 0 HD21 ASN A 87 6.967 15.720 -3.816 1.00 13.11 H new ATOM 0 HD22 ASN A 87 6.716 14.248 -2.873 1.00 13.11 H new ATOM 1364 N THR A 88 4.681 13.635 1.740 1.00 54.04 N ATOM 1365 CA THR A 88 4.519 12.780 2.922 1.00 44.43 C ATOM 1366 C THR A 88 4.922 11.345 2.552 1.00 61.45 C ATOM 1367 O THR A 88 4.348 10.745 1.635 1.00 13.25 O ATOM 1368 CB THR A 88 3.035 12.793 3.415 1.00 0.33 C ATOM 1369 OG1 THR A 88 2.551 14.144 3.471 1.00 62.34 O ATOM 1370 CG2 THR A 88 2.875 12.135 4.805 1.00 74.02 C ATOM 0 H THR A 88 3.904 13.561 1.084 1.00 54.04 H new ATOM 0 HA THR A 88 5.152 13.157 3.725 1.00 44.43 H new ATOM 0 HB THR A 88 2.452 12.212 2.701 1.00 0.33 H new ATOM 0 HG1 THR A 88 1.573 14.144 3.411 1.00 62.34 H new ATOM 0 HG21 THR A 88 1.828 12.168 5.105 1.00 74.02 H new ATOM 0 HG22 THR A 88 3.206 11.098 4.757 1.00 74.02 H new ATOM 0 HG23 THR A 88 3.478 12.675 5.535 1.00 74.02 H new ATOM 1378 N THR A 89 5.919 10.808 3.254 1.00 44.20 N ATOM 1379 CA THR A 89 6.428 9.463 3.007 1.00 2.23 C ATOM 1380 C THR A 89 5.640 8.453 3.858 1.00 70.25 C ATOM 1381 O THR A 89 5.472 8.643 5.063 1.00 4.14 O ATOM 1382 CB THR A 89 7.952 9.377 3.344 1.00 22.14 C ATOM 1383 OG1 THR A 89 8.643 10.463 2.700 1.00 40.51 O ATOM 1384 CG2 THR A 89 8.581 8.037 2.901 1.00 52.34 C ATOM 0 H THR A 89 6.397 11.296 4.012 1.00 44.20 H new ATOM 0 HA THR A 89 6.300 9.227 1.951 1.00 2.23 H new ATOM 0 HB THR A 89 8.052 9.443 4.427 1.00 22.14 H new ATOM 0 HG1 THR A 89 9.599 10.413 2.911 1.00 40.51 H new ATOM 0 HG21 THR A 89 9.640 8.029 3.158 1.00 52.34 H new ATOM 0 HG22 THR A 89 8.078 7.214 3.409 1.00 52.34 H new ATOM 0 HG23 THR A 89 8.469 7.921 1.823 1.00 52.34 H new ATOM 1392 N TYR A 90 5.114 7.416 3.207 1.00 23.24 N ATOM 1393 CA TYR A 90 4.517 6.259 3.877 1.00 23.15 C ATOM 1394 C TYR A 90 5.476 5.081 3.710 1.00 32.33 C ATOM 1395 O TYR A 90 5.905 4.781 2.600 1.00 23.44 O ATOM 1396 CB TYR A 90 3.120 5.936 3.275 1.00 14.35 C ATOM 1397 CG TYR A 90 2.049 7.006 3.557 1.00 5.31 C ATOM 1398 CD1 TYR A 90 2.064 8.237 2.896 1.00 75.42 C ATOM 1399 CD2 TYR A 90 1.031 6.785 4.489 1.00 23.52 C ATOM 1400 CE1 TYR A 90 1.114 9.207 3.153 1.00 2.04 C ATOM 1401 CE2 TYR A 90 0.075 7.752 4.744 1.00 33.23 C ATOM 1402 CZ TYR A 90 0.121 8.961 4.076 1.00 64.43 C ATOM 1403 OH TYR A 90 -0.821 9.931 4.350 1.00 51.02 O ATOM 0 H TYR A 90 5.090 7.354 2.189 1.00 23.24 H new ATOM 0 HA TYR A 90 4.365 6.468 4.936 1.00 23.15 H new ATOM 0 HB2 TYR A 90 3.221 5.814 2.197 1.00 14.35 H new ATOM 0 HB3 TYR A 90 2.777 4.981 3.673 1.00 14.35 H new ATOM 0 HD1 TYR A 90 2.836 8.435 2.167 1.00 75.42 H new ATOM 0 HD2 TYR A 90 0.990 5.845 5.018 1.00 23.52 H new ATOM 0 HE1 TYR A 90 1.150 10.153 2.633 1.00 2.04 H new ATOM 0 HE2 TYR A 90 -0.707 7.562 5.465 1.00 33.23 H new ATOM 0 HH TYR A 90 -0.648 10.315 5.235 1.00 51.02 H new ATOM 1413 N GLU A 91 5.849 4.449 4.820 1.00 61.01 N ATOM 1414 CA GLU A 91 6.689 3.248 4.811 1.00 63.11 C ATOM 1415 C GLU A 91 5.823 2.046 5.200 1.00 65.41 C ATOM 1416 O GLU A 91 5.462 1.864 6.370 1.00 52.44 O ATOM 1417 CB GLU A 91 7.913 3.433 5.750 1.00 0.22 C ATOM 1418 CG GLU A 91 8.866 4.566 5.312 1.00 4.03 C ATOM 1419 CD GLU A 91 10.215 4.522 6.039 1.00 30.12 C ATOM 1420 OE1 GLU A 91 11.074 3.707 5.646 1.00 52.24 O ATOM 1421 OE2 GLU A 91 10.426 5.307 6.985 1.00 55.53 O ATOM 0 H GLU A 91 5.578 4.754 5.755 1.00 61.01 H new ATOM 0 HA GLU A 91 7.093 3.071 3.814 1.00 63.11 H new ATOM 0 HB2 GLU A 91 7.557 3.639 6.759 1.00 0.22 H new ATOM 0 HB3 GLU A 91 8.471 2.498 5.794 1.00 0.22 H new ATOM 0 HG2 GLU A 91 9.035 4.497 4.237 1.00 4.03 H new ATOM 0 HG3 GLU A 91 8.389 5.528 5.499 1.00 4.03 H new ATOM 1428 N LEU A 92 5.460 1.260 4.187 1.00 24.50 N ATOM 1429 CA LEU A 92 4.583 0.100 4.317 1.00 23.10 C ATOM 1430 C LEU A 92 5.422 -1.145 4.603 1.00 61.30 C ATOM 1431 O LEU A 92 6.096 -1.671 3.716 1.00 43.21 O ATOM 1432 CB LEU A 92 3.765 -0.039 3.011 1.00 64.33 C ATOM 1433 CG LEU A 92 2.761 1.125 2.743 1.00 12.25 C ATOM 1434 CD1 LEU A 92 2.273 1.123 1.295 1.00 20.33 C ATOM 1435 CD2 LEU A 92 1.567 1.051 3.694 1.00 45.41 C ATOM 0 H LEU A 92 5.776 1.417 3.230 1.00 24.50 H new ATOM 0 HA LEU A 92 3.890 0.223 5.149 1.00 23.10 H new ATOM 0 HB2 LEU A 92 4.456 -0.105 2.171 1.00 64.33 H new ATOM 0 HB3 LEU A 92 3.212 -0.978 3.043 1.00 64.33 H new ATOM 0 HG LEU A 92 3.297 2.057 2.923 1.00 12.25 H new ATOM 0 HD11 LEU A 92 1.576 1.947 1.145 1.00 20.33 H new ATOM 0 HD12 LEU A 92 3.124 1.241 0.624 1.00 20.33 H new ATOM 0 HD13 LEU A 92 1.771 0.179 1.082 1.00 20.33 H new ATOM 0 HD21 LEU A 92 0.884 1.874 3.485 1.00 45.41 H new ATOM 0 HD22 LEU A 92 1.048 0.103 3.553 1.00 45.41 H new ATOM 0 HD23 LEU A 92 1.917 1.123 4.724 1.00 45.41 H new ATOM 1447 N ARG A 93 5.395 -1.589 5.857 1.00 54.14 N ATOM 1448 CA ARG A 93 6.161 -2.738 6.316 1.00 13.42 C ATOM 1449 C ARG A 93 5.281 -3.998 6.230 1.00 35.45 C ATOM 1450 O ARG A 93 4.447 -4.251 7.109 1.00 31.12 O ATOM 1451 CB ARG A 93 6.661 -2.460 7.762 1.00 34.22 C ATOM 1452 CG ARG A 93 7.571 -3.554 8.342 1.00 34.13 C ATOM 1453 CD ARG A 93 8.194 -3.185 9.700 1.00 74.13 C ATOM 1454 NE ARG A 93 9.078 -4.261 10.198 1.00 23.33 N ATOM 1455 CZ ARG A 93 10.424 -4.282 10.110 1.00 74.24 C ATOM 1456 NH1 ARG A 93 11.100 -3.289 9.542 1.00 31.42 N ATOM 1457 NH2 ARG A 93 11.098 -5.320 10.577 1.00 71.42 N ATOM 0 H ARG A 93 4.833 -1.154 6.589 1.00 54.14 H new ATOM 0 HA ARG A 93 7.035 -2.907 5.687 1.00 13.42 H new ATOM 0 HB2 ARG A 93 7.201 -1.513 7.771 1.00 34.22 H new ATOM 0 HB3 ARG A 93 5.797 -2.340 8.415 1.00 34.22 H new ATOM 0 HG2 ARG A 93 6.994 -4.472 8.454 1.00 34.13 H new ATOM 0 HG3 ARG A 93 8.370 -3.764 7.631 1.00 34.13 H new ATOM 0 HD2 ARG A 93 8.763 -2.261 9.602 1.00 74.13 H new ATOM 0 HD3 ARG A 93 7.403 -2.997 10.426 1.00 74.13 H new ATOM 0 HE ARG A 93 8.630 -5.059 10.648 1.00 23.33 H new ATOM 0 HH11 ARG A 93 10.601 -2.486 9.159 1.00 31.42 H new ATOM 0 HH12 ARG A 93 12.118 -3.330 9.489 1.00 31.42 H new ATOM 0 HH21 ARG A 93 10.600 -6.102 11.002 1.00 71.42 H new ATOM 0 HH22 ARG A 93 12.116 -5.338 10.512 1.00 71.42 H new ATOM 1471 N PHE A 94 5.462 -4.777 5.154 1.00 51.24 N ATOM 1472 CA PHE A 94 4.696 -6.007 4.915 1.00 23.11 C ATOM 1473 C PHE A 94 5.405 -7.173 5.607 1.00 1.22 C ATOM 1474 O PHE A 94 6.555 -7.495 5.268 1.00 5.14 O ATOM 1475 CB PHE A 94 4.583 -6.313 3.402 1.00 61.23 C ATOM 1476 CG PHE A 94 3.868 -5.268 2.560 1.00 11.45 C ATOM 1477 CD1 PHE A 94 4.547 -4.152 2.078 1.00 72.35 C ATOM 1478 CD2 PHE A 94 2.521 -5.418 2.226 1.00 13.13 C ATOM 1479 CE1 PHE A 94 3.900 -3.214 1.299 1.00 21.45 C ATOM 1480 CE2 PHE A 94 1.876 -4.476 1.448 1.00 53.20 C ATOM 1481 CZ PHE A 94 2.567 -3.379 0.982 1.00 51.13 C ATOM 0 H PHE A 94 6.145 -4.571 4.425 1.00 51.24 H new ATOM 0 HA PHE A 94 3.691 -5.872 5.315 1.00 23.11 H new ATOM 0 HB2 PHE A 94 5.589 -6.446 3.003 1.00 61.23 H new ATOM 0 HB3 PHE A 94 4.064 -7.264 3.282 1.00 61.23 H new ATOM 0 HD1 PHE A 94 5.592 -4.019 2.316 1.00 72.35 H new ATOM 0 HD2 PHE A 94 1.976 -6.281 2.580 1.00 13.13 H new ATOM 0 HE1 PHE A 94 4.438 -2.350 0.937 1.00 21.45 H new ATOM 0 HE2 PHE A 94 0.831 -4.599 1.205 1.00 53.20 H new ATOM 0 HZ PHE A 94 2.065 -2.647 0.367 1.00 51.13 H new ATOM 1491 N GLU A 95 4.734 -7.781 6.593 1.00 45.23 N ATOM 1492 CA GLU A 95 5.270 -8.928 7.323 1.00 32.41 C ATOM 1493 C GLU A 95 4.906 -10.230 6.600 1.00 25.43 C ATOM 1494 O GLU A 95 3.745 -10.449 6.232 1.00 12.15 O ATOM 1495 CB GLU A 95 4.755 -8.944 8.782 1.00 33.32 C ATOM 1496 CG GLU A 95 5.322 -10.088 9.654 1.00 55.04 C ATOM 1497 CD GLU A 95 6.859 -10.065 9.794 1.00 20.34 C ATOM 1498 OE1 GLU A 95 7.566 -10.557 8.887 1.00 35.41 O ATOM 1499 OE2 GLU A 95 7.368 -9.558 10.815 1.00 31.14 O ATOM 0 H GLU A 95 3.807 -7.490 6.904 1.00 45.23 H new ATOM 0 HA GLU A 95 6.356 -8.841 7.356 1.00 32.41 H new ATOM 0 HB2 GLU A 95 5.002 -7.991 9.251 1.00 33.32 H new ATOM 0 HB3 GLU A 95 3.668 -9.020 8.768 1.00 33.32 H new ATOM 0 HG2 GLU A 95 4.876 -10.030 10.647 1.00 55.04 H new ATOM 0 HG3 GLU A 95 5.020 -11.043 9.224 1.00 55.04 H new ATOM 1506 N VAL A 96 5.919 -11.089 6.411 1.00 25.05 N ATOM 1507 CA VAL A 96 5.787 -12.373 5.703 1.00 21.42 C ATOM 1508 C VAL A 96 5.761 -13.538 6.709 1.00 42.51 C ATOM 1509 O VAL A 96 6.337 -13.447 7.799 1.00 54.35 O ATOM 1510 CB VAL A 96 6.955 -12.597 4.663 1.00 11.13 C ATOM 1511 CG1 VAL A 96 7.127 -11.365 3.752 1.00 1.42 C ATOM 1512 CG2 VAL A 96 8.296 -12.975 5.341 1.00 53.32 C ATOM 0 H VAL A 96 6.865 -10.910 6.749 1.00 25.05 H new ATOM 0 HA VAL A 96 4.847 -12.342 5.152 1.00 21.42 H new ATOM 0 HB VAL A 96 6.665 -13.448 4.046 1.00 11.13 H new ATOM 0 HG11 VAL A 96 7.937 -11.545 3.045 1.00 1.42 H new ATOM 0 HG12 VAL A 96 6.202 -11.185 3.205 1.00 1.42 H new ATOM 0 HG13 VAL A 96 7.364 -10.492 4.361 1.00 1.42 H new ATOM 0 HG21 VAL A 96 9.062 -13.117 4.579 1.00 53.32 H new ATOM 0 HG22 VAL A 96 8.600 -12.176 6.017 1.00 53.32 H new ATOM 0 HG23 VAL A 96 8.171 -13.899 5.905 1.00 53.32 H new ATOM 1522 N ASP A 97 5.055 -14.606 6.340 1.00 42.35 N ATOM 1523 CA ASP A 97 5.103 -15.891 7.045 1.00 40.21 C ATOM 1524 C ASP A 97 5.055 -16.999 5.991 1.00 3.14 C ATOM 1525 O ASP A 97 4.042 -17.167 5.295 1.00 1.23 O ATOM 1526 CB ASP A 97 3.945 -16.014 8.068 1.00 61.03 C ATOM 1527 CG ASP A 97 3.822 -17.409 8.711 1.00 12.02 C ATOM 1528 OD1 ASP A 97 4.574 -17.712 9.657 1.00 4.21 O ATOM 1529 OD2 ASP A 97 2.964 -18.199 8.277 1.00 25.12 O ATOM 0 H ASP A 97 4.427 -14.606 5.536 1.00 42.35 H new ATOM 0 HA ASP A 97 6.023 -15.973 7.623 1.00 40.21 H new ATOM 0 HB2 ASP A 97 4.089 -15.274 8.855 1.00 61.03 H new ATOM 0 HB3 ASP A 97 3.006 -15.771 7.570 1.00 61.03 H new ATOM 1534 N GLY A 98 6.182 -17.711 5.844 1.00 12.14 N ATOM 1535 CA GLY A 98 6.315 -18.765 4.854 1.00 13.31 C ATOM 1536 C GLY A 98 6.577 -18.222 3.461 1.00 34.41 C ATOM 1537 O GLY A 98 7.646 -17.659 3.198 1.00 22.30 O ATOM 0 H GLY A 98 7.018 -17.566 6.410 1.00 12.14 H new ATOM 0 HA2 GLY A 98 7.131 -19.429 5.141 1.00 13.31 H new ATOM 0 HA3 GLY A 98 5.405 -19.365 4.842 1.00 13.31 H new ATOM 1541 N ASP A 99 5.581 -18.365 2.582 1.00 2.44 N ATOM 1542 CA ASP A 99 5.701 -18.073 1.141 1.00 33.43 C ATOM 1543 C ASP A 99 4.839 -16.863 0.715 1.00 53.54 C ATOM 1544 O ASP A 99 4.926 -16.421 -0.438 1.00 34.51 O ATOM 1545 CB ASP A 99 5.292 -19.339 0.333 1.00 30.20 C ATOM 1546 CG ASP A 99 3.840 -19.794 0.597 1.00 33.33 C ATOM 1547 OD1 ASP A 99 2.970 -19.632 -0.275 1.00 54.14 O ATOM 1548 OD2 ASP A 99 3.562 -20.295 1.703 1.00 63.20 O ATOM 0 H ASP A 99 4.653 -18.691 2.850 1.00 2.44 H new ATOM 0 HA ASP A 99 6.738 -17.810 0.932 1.00 33.43 H new ATOM 0 HB2 ASP A 99 5.413 -19.136 -0.731 1.00 30.20 H new ATOM 0 HB3 ASP A 99 5.971 -20.155 0.582 1.00 30.20 H new ATOM 1553 N THR A 100 4.017 -16.330 1.639 1.00 54.11 N ATOM 1554 CA THR A 100 3.092 -15.211 1.348 1.00 13.03 C ATOM 1555 C THR A 100 3.133 -14.160 2.477 1.00 31.54 C ATOM 1556 O THR A 100 3.658 -14.420 3.572 1.00 73.05 O ATOM 1557 CB THR A 100 1.619 -15.726 1.129 1.00 23.00 C ATOM 1558 OG1 THR A 100 0.780 -14.653 0.655 1.00 63.23 O ATOM 1559 CG2 THR A 100 1.009 -16.320 2.415 1.00 62.52 C ATOM 0 H THR A 100 3.973 -16.659 2.604 1.00 54.11 H new ATOM 0 HA THR A 100 3.424 -14.740 0.423 1.00 13.03 H new ATOM 0 HB THR A 100 1.668 -16.520 0.383 1.00 23.00 H new ATOM 0 HG1 THR A 100 -0.132 -14.986 0.521 1.00 63.23 H new ATOM 0 HG21 THR A 100 -0.006 -16.661 2.212 1.00 62.52 H new ATOM 0 HG22 THR A 100 1.614 -17.162 2.749 1.00 62.52 H new ATOM 0 HG23 THR A 100 0.987 -15.557 3.193 1.00 62.52 H new ATOM 1567 N ILE A 101 2.573 -12.975 2.186 1.00 21.53 N ATOM 1568 CA ILE A 101 2.503 -11.846 3.123 1.00 54.32 C ATOM 1569 C ILE A 101 1.158 -11.890 3.874 1.00 61.10 C ATOM 1570 O ILE A 101 0.101 -12.051 3.251 1.00 3.12 O ATOM 1571 CB ILE A 101 2.651 -10.478 2.361 1.00 64.32 C ATOM 1572 CG1 ILE A 101 3.998 -10.428 1.563 1.00 21.30 C ATOM 1573 CG2 ILE A 101 2.525 -9.281 3.332 1.00 50.21 C ATOM 1574 CD1 ILE A 101 4.205 -9.190 0.697 1.00 53.44 C ATOM 0 H ILE A 101 2.151 -12.773 1.280 1.00 21.53 H new ATOM 0 HA ILE A 101 3.324 -11.927 3.836 1.00 54.32 H new ATOM 0 HB ILE A 101 1.835 -10.402 1.642 1.00 64.32 H new ATOM 0 HG12 ILE A 101 4.823 -10.495 2.273 1.00 21.30 H new ATOM 0 HG13 ILE A 101 4.054 -11.310 0.925 1.00 21.30 H new ATOM 0 HG21 ILE A 101 2.632 -8.349 2.777 1.00 50.21 H new ATOM 0 HG22 ILE A 101 1.548 -9.306 3.815 1.00 50.21 H new ATOM 0 HG23 ILE A 101 3.306 -9.343 4.090 1.00 50.21 H new ATOM 0 HD11 ILE A 101 5.167 -9.258 0.189 1.00 53.44 H new ATOM 0 HD12 ILE A 101 3.408 -9.127 -0.044 1.00 53.44 H new ATOM 0 HD13 ILE A 101 4.188 -8.299 1.325 1.00 53.44 H new ATOM 1586 N ARG A 102 1.219 -11.741 5.208 1.00 60.33 N ATOM 1587 CA ARG A 102 0.050 -11.858 6.107 1.00 4.41 C ATOM 1588 C ARG A 102 -0.446 -10.473 6.557 1.00 61.41 C ATOM 1589 O ARG A 102 -1.633 -10.297 6.859 1.00 11.43 O ATOM 1590 CB ARG A 102 0.437 -12.677 7.369 1.00 4.24 C ATOM 1591 CG ARG A 102 1.189 -13.993 7.093 1.00 73.51 C ATOM 1592 CD ARG A 102 0.382 -15.029 6.296 1.00 60.14 C ATOM 1593 NE ARG A 102 1.162 -16.262 6.087 1.00 62.41 N ATOM 1594 CZ ARG A 102 0.654 -17.477 5.841 1.00 52.41 C ATOM 1595 NH1 ARG A 102 -0.660 -17.673 5.754 1.00 30.31 N ATOM 1596 NH2 ARG A 102 1.481 -18.497 5.690 1.00 23.24 N ATOM 0 H ARG A 102 2.088 -11.534 5.701 1.00 60.33 H new ATOM 0 HA ARG A 102 -0.745 -12.360 5.555 1.00 4.41 H new ATOM 0 HB2 ARG A 102 1.056 -12.052 8.012 1.00 4.24 H new ATOM 0 HB3 ARG A 102 -0.471 -12.906 7.926 1.00 4.24 H new ATOM 0 HG2 ARG A 102 2.105 -13.766 6.548 1.00 73.51 H new ATOM 0 HG3 ARG A 102 1.485 -14.435 8.044 1.00 73.51 H new ATOM 0 HD2 ARG A 102 -0.540 -15.264 6.828 1.00 60.14 H new ATOM 0 HD3 ARG A 102 0.096 -14.608 5.332 1.00 60.14 H new ATOM 0 HE ARG A 102 2.178 -16.183 6.134 1.00 62.41 H new ATOM 0 HH11 ARG A 102 -1.302 -16.889 5.875 1.00 30.31 H new ATOM 0 HH12 ARG A 102 -1.025 -18.607 5.566 1.00 30.31 H new ATOM 0 HH21 ARG A 102 2.488 -18.352 5.761 1.00 23.24 H new ATOM 0 HH22 ARG A 102 1.112 -19.429 5.502 1.00 23.24 H new ATOM 1610 N ARG A 103 0.478 -9.496 6.615 1.00 22.13 N ATOM 1611 CA ARG A 103 0.238 -8.211 7.302 1.00 73.43 C ATOM 1612 C ARG A 103 0.948 -7.057 6.574 1.00 10.12 C ATOM 1613 O ARG A 103 1.935 -7.277 5.882 1.00 12.25 O ATOM 1614 CB ARG A 103 0.755 -8.339 8.770 1.00 52.30 C ATOM 1615 CG ARG A 103 0.370 -7.179 9.724 1.00 62.45 C ATOM 1616 CD ARG A 103 0.867 -7.416 11.163 1.00 23.53 C ATOM 1617 NE ARG A 103 0.362 -6.409 12.114 1.00 71.21 N ATOM 1618 CZ ARG A 103 0.201 -6.604 13.437 1.00 62.44 C ATOM 1619 NH1 ARG A 103 0.508 -7.776 14.002 1.00 13.32 N ATOM 1620 NH2 ARG A 103 -0.267 -5.616 14.192 1.00 72.11 N ATOM 0 H ARG A 103 1.403 -9.572 6.192 1.00 22.13 H new ATOM 0 HA ARG A 103 -0.828 -7.986 7.300 1.00 73.43 H new ATOM 0 HB2 ARG A 103 0.375 -9.271 9.189 1.00 52.30 H new ATOM 0 HB3 ARG A 103 1.842 -8.420 8.747 1.00 52.30 H new ATOM 0 HG2 ARG A 103 0.789 -6.246 9.346 1.00 62.45 H new ATOM 0 HG3 ARG A 103 -0.714 -7.062 9.731 1.00 62.45 H new ATOM 0 HD2 ARG A 103 0.556 -8.408 11.491 1.00 23.53 H new ATOM 0 HD3 ARG A 103 1.957 -7.404 11.173 1.00 23.53 H new ATOM 0 HE ARG A 103 0.115 -5.492 11.741 1.00 71.21 H new ATOM 0 HH11 ARG A 103 0.870 -8.539 13.430 1.00 13.32 H new ATOM 0 HH12 ARG A 103 0.380 -7.907 15.005 1.00 13.32 H new ATOM 0 HH21 ARG A 103 -0.501 -4.718 13.769 1.00 72.11 H new ATOM 0 HH22 ARG A 103 -0.392 -5.756 15.195 1.00 72.11 H new ATOM 1634 N VAL A 104 0.413 -5.836 6.735 1.00 24.00 N ATOM 1635 CA VAL A 104 1.079 -4.578 6.342 1.00 70.24 C ATOM 1636 C VAL A 104 0.960 -3.575 7.506 1.00 40.42 C ATOM 1637 O VAL A 104 -0.084 -3.495 8.167 1.00 3.14 O ATOM 1638 CB VAL A 104 0.478 -3.961 5.016 1.00 33.31 C ATOM 1639 CG1 VAL A 104 -1.041 -3.692 5.128 1.00 22.34 C ATOM 1640 CG2 VAL A 104 1.249 -2.683 4.588 1.00 62.13 C ATOM 0 H VAL A 104 -0.508 -5.690 7.148 1.00 24.00 H new ATOM 0 HA VAL A 104 2.126 -4.796 6.131 1.00 70.24 H new ATOM 0 HB VAL A 104 0.608 -4.708 4.233 1.00 33.31 H new ATOM 0 HG11 VAL A 104 -1.406 -3.269 4.192 1.00 22.34 H new ATOM 0 HG12 VAL A 104 -1.562 -4.628 5.330 1.00 22.34 H new ATOM 0 HG13 VAL A 104 -1.227 -2.990 5.941 1.00 22.34 H new ATOM 0 HG21 VAL A 104 0.811 -2.283 3.673 1.00 62.13 H new ATOM 0 HG22 VAL A 104 1.182 -1.936 5.379 1.00 62.13 H new ATOM 0 HG23 VAL A 104 2.295 -2.932 4.411 1.00 62.13 H new ATOM 1650 N THR A 105 2.051 -2.850 7.781 1.00 21.53 N ATOM 1651 CA THR A 105 2.100 -1.809 8.812 1.00 70.03 C ATOM 1652 C THR A 105 2.304 -0.454 8.124 1.00 63.13 C ATOM 1653 O THR A 105 3.359 -0.207 7.533 1.00 61.40 O ATOM 1654 CB THR A 105 3.258 -2.087 9.826 1.00 30.31 C ATOM 1655 OG1 THR A 105 3.169 -3.441 10.305 1.00 62.12 O ATOM 1656 CG2 THR A 105 3.218 -1.122 11.024 1.00 64.41 C ATOM 0 H THR A 105 2.935 -2.972 7.287 1.00 21.53 H new ATOM 0 HA THR A 105 1.165 -1.804 9.373 1.00 70.03 H new ATOM 0 HB THR A 105 4.200 -1.932 9.299 1.00 30.31 H new ATOM 0 HG1 THR A 105 3.897 -3.612 10.939 1.00 62.12 H new ATOM 0 HG21 THR A 105 4.040 -1.351 11.703 1.00 64.41 H new ATOM 0 HG22 THR A 105 3.316 -0.096 10.668 1.00 64.41 H new ATOM 0 HG23 THR A 105 2.270 -1.235 11.550 1.00 64.41 H new ATOM 1664 N VAL A 106 1.283 0.401 8.191 1.00 24.44 N ATOM 1665 CA VAL A 106 1.287 1.712 7.536 1.00 73.33 C ATOM 1666 C VAL A 106 1.934 2.738 8.474 1.00 2.22 C ATOM 1667 O VAL A 106 1.331 3.145 9.473 1.00 51.45 O ATOM 1668 CB VAL A 106 -0.176 2.171 7.174 1.00 30.41 C ATOM 1669 CG1 VAL A 106 -0.165 3.521 6.417 1.00 34.02 C ATOM 1670 CG2 VAL A 106 -0.930 1.067 6.382 1.00 33.02 C ATOM 0 H VAL A 106 0.424 0.203 8.704 1.00 24.44 H new ATOM 0 HA VAL A 106 1.856 1.638 6.609 1.00 73.33 H new ATOM 0 HB VAL A 106 -0.721 2.328 8.105 1.00 30.41 H new ATOM 0 HG11 VAL A 106 -1.188 3.813 6.180 1.00 34.02 H new ATOM 0 HG12 VAL A 106 0.295 4.285 7.043 1.00 34.02 H new ATOM 0 HG13 VAL A 106 0.406 3.416 5.494 1.00 34.02 H new ATOM 0 HG21 VAL A 106 -1.937 1.412 6.146 1.00 33.02 H new ATOM 0 HG22 VAL A 106 -0.394 0.852 5.458 1.00 33.02 H new ATOM 0 HG23 VAL A 106 -0.989 0.162 6.986 1.00 33.02 H new ATOM 1680 N THR A 107 3.180 3.119 8.172 1.00 14.32 N ATOM 1681 CA THR A 107 3.932 4.084 8.978 1.00 61.33 C ATOM 1682 C THR A 107 3.945 5.436 8.251 1.00 22.12 C ATOM 1683 O THR A 107 4.638 5.593 7.242 1.00 52.30 O ATOM 1684 CB THR A 107 5.393 3.568 9.213 1.00 51.20 C ATOM 1685 OG1 THR A 107 5.344 2.209 9.691 1.00 22.31 O ATOM 1686 CG2 THR A 107 6.180 4.450 10.210 1.00 12.45 C ATOM 0 H THR A 107 3.694 2.767 7.364 1.00 14.32 H new ATOM 0 HA THR A 107 3.456 4.203 9.951 1.00 61.33 H new ATOM 0 HB THR A 107 5.920 3.618 8.260 1.00 51.20 H new ATOM 0 HG1 THR A 107 6.256 1.881 9.838 1.00 22.31 H new ATOM 0 HG21 THR A 107 7.185 4.048 10.336 1.00 12.45 H new ATOM 0 HG22 THR A 107 6.242 5.468 9.825 1.00 12.45 H new ATOM 0 HG23 THR A 107 5.668 4.457 11.172 1.00 12.45 H new ATOM 1694 N GLN A 108 3.159 6.406 8.745 1.00 32.43 N ATOM 1695 CA GLN A 108 3.123 7.754 8.171 1.00 64.02 C ATOM 1696 C GLN A 108 4.323 8.541 8.720 1.00 52.44 C ATOM 1697 O GLN A 108 4.294 9.067 9.842 1.00 40.10 O ATOM 1698 CB GLN A 108 1.786 8.471 8.488 1.00 31.45 C ATOM 1699 CG GLN A 108 1.581 9.783 7.698 1.00 51.34 C ATOM 1700 CD GLN A 108 0.243 10.472 7.977 1.00 72.22 C ATOM 1701 OE1 GLN A 108 -0.338 11.090 6.959 1.00 71.35 O flip ATOM 1702 NE2 GLN A 108 -0.282 10.424 9.093 1.00 23.20 N flip ATOM 0 H GLN A 108 2.539 6.277 9.544 1.00 32.43 H new ATOM 0 HA GLN A 108 3.188 7.691 7.085 1.00 64.02 H new ATOM 0 HB2 GLN A 108 0.960 7.794 8.270 1.00 31.45 H new ATOM 0 HB3 GLN A 108 1.746 8.690 9.555 1.00 31.45 H new ATOM 0 HG2 GLN A 108 2.391 10.472 7.940 1.00 51.34 H new ATOM 0 HG3 GLN A 108 1.653 9.569 6.632 1.00 51.34 H new ATOM 0 HE21 GLN A 108 0.189 9.941 9.858 1.00 23.20 H new ATOM 0 HE22 GLN A 108 -1.187 10.867 9.250 1.00 23.20 H new ATOM 1711 N ASN A 109 5.401 8.548 7.932 1.00 5.13 N ATOM 1712 CA ASN A 109 6.670 9.191 8.291 1.00 5.25 C ATOM 1713 C ASN A 109 6.488 10.727 8.284 1.00 12.32 C ATOM 1714 O ASN A 109 6.219 11.326 7.235 1.00 1.40 O ATOM 1715 CB ASN A 109 7.766 8.732 7.286 1.00 11.41 C ATOM 1716 CG ASN A 109 9.204 8.983 7.746 1.00 12.44 C ATOM 1717 OD1 ASN A 109 9.514 9.929 8.475 1.00 1.13 O ATOM 1718 ND2 ASN A 109 10.098 8.119 7.310 1.00 64.14 N ATOM 0 H ASN A 109 5.419 8.102 7.015 1.00 5.13 H new ATOM 0 HA ASN A 109 6.982 8.900 9.294 1.00 5.25 H new ATOM 0 HB2 ASN A 109 7.641 7.666 7.096 1.00 11.41 H new ATOM 0 HB3 ASN A 109 7.608 9.246 6.338 1.00 11.41 H new ATOM 0 HD21 ASN A 109 11.078 8.222 7.574 1.00 64.14 H new ATOM 0 HD22 ASN A 109 9.810 7.347 6.708 1.00 64.14 H new