USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 653 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 26 SER OG : rot -171:sc= -3.37 USER MOD Set 1.2: A 34 THR OG1 : rot 143:sc= 1.33 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= -1.3 (180deg=-1.49) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 178:sc= -0.68 (180deg=-0.736) USER MOD Single : A 41 MET CE :methyl 151:sc= -0.427 (180deg=-1.78) USER MOD Single : A 42 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.099) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= 0.0211 (180deg=0) USER MOD Single : A 49 SER OG : rot -34:sc= 0.362 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.91! C(o=-6.1!,f=-3.9!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.171 F(o=-0.8,f=-0.17) USER MOD Single : A 59 MET CE :methyl 165:sc= -2.65! (180deg=-3.15!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.36 K(o=-2.4,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00594 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 74 CYS SG : rot 72:sc= 0.51 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= -0.0446 (180deg=-0.333) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -3.52 K(o=-3.5,f=-4.2!) USER MOD Single : A 85 SER OG : rot 170:sc= -0.034 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0444 F(o=-4!,f=-0.044) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.549 1.119 -10.989 1.00 0.00 N ATOM 60 CA GLY A 7 -7.522 0.724 -11.936 1.00 0.00 C ATOM 61 C GLY A 7 -6.123 0.890 -11.377 1.00 0.00 C ATOM 62 O GLY A 7 -5.936 0.953 -10.162 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.675 -0.317 -12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.620 1.320 -12.843 1.00 0.00 H new ATOM 66 N ASP A 8 -5.137 0.959 -12.265 1.00 0.00 N ATOM 67 CA ASP A 8 -3.747 1.118 -11.854 1.00 0.00 C ATOM 68 C ASP A 8 -3.533 2.466 -11.172 1.00 0.00 C ATOM 69 O ASP A 8 -3.835 3.516 -11.740 1.00 0.00 O ATOM 70 CB ASP A 8 -2.818 0.990 -13.062 1.00 0.00 C ATOM 71 CG ASP A 8 -3.318 -0.024 -14.072 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.140 -1.236 -13.833 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.886 0.395 -15.102 1.00 0.00 O ATOM 0 H ASP A 8 -5.275 0.907 -13.274 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.512 0.329 -11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.720 1.962 -13.546 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.823 0.701 -12.723 1.00 0.00 H new ATOM 78 N VAL A 9 -3.011 2.429 -9.950 1.00 0.00 N ATOM 79 CA VAL A 9 -2.757 3.647 -9.190 1.00 0.00 C ATOM 80 C VAL A 9 -1.264 3.841 -8.948 1.00 0.00 C ATOM 81 O VAL A 9 -0.520 2.875 -8.779 1.00 0.00 O ATOM 82 CB VAL A 9 -3.487 3.626 -7.834 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.965 4.731 -6.929 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.989 3.756 -8.037 1.00 0.00 C ATOM 0 H VAL A 9 -2.756 1.569 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.137 4.477 -9.785 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.290 2.670 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.493 4.700 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.898 4.588 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.130 5.698 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.490 3.739 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.208 4.697 -8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.347 2.925 -8.645 1.00 0.00 H new ATOM 94 N PHE A 10 -0.832 5.098 -8.931 1.00 0.00 N ATOM 95 CA PHE A 10 0.573 5.420 -8.709 1.00 0.00 C ATOM 96 C PHE A 10 0.724 6.464 -7.606 1.00 0.00 C ATOM 97 O PHE A 10 0.366 7.628 -7.786 1.00 0.00 O ATOM 98 CB PHE A 10 1.211 5.932 -10.002 1.00 0.00 C ATOM 99 CG PHE A 10 1.477 4.850 -11.009 1.00 0.00 C ATOM 100 CD1 PHE A 10 2.682 4.165 -11.007 1.00 0.00 C ATOM 101 CD2 PHE A 10 0.523 4.517 -11.957 1.00 0.00 C ATOM 102 CE1 PHE A 10 2.929 3.169 -11.933 1.00 0.00 C ATOM 103 CE2 PHE A 10 0.765 3.521 -12.885 1.00 0.00 C ATOM 104 CZ PHE A 10 1.969 2.846 -12.872 1.00 0.00 C ATOM 0 H PHE A 10 -1.434 5.910 -9.068 1.00 0.00 H new ATOM 0 HA PHE A 10 1.084 4.509 -8.396 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.557 6.680 -10.449 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.149 6.432 -9.761 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.436 4.412 -10.274 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.421 5.042 -11.971 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.872 2.643 -11.922 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.013 3.271 -13.619 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.160 2.067 -13.595 1.00 0.00 H new ATOM 114 N ILE A 11 1.257 6.038 -6.466 1.00 0.00 N ATOM 115 CA ILE A 11 1.456 6.935 -5.334 1.00 0.00 C ATOM 116 C ILE A 11 2.851 7.548 -5.359 1.00 0.00 C ATOM 117 O ILE A 11 3.844 6.867 -5.106 1.00 0.00 O ATOM 118 CB ILE A 11 1.252 6.204 -3.994 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.193 5.716 -3.869 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.610 7.118 -2.832 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.214 6.830 -3.927 1.00 0.00 C ATOM 0 H ILE A 11 1.559 5.078 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 11 0.712 7.727 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 11 1.912 5.337 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.398 5.004 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.306 5.179 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.461 6.587 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.654 7.421 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.973 8.002 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.216 6.411 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.035 7.530 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.128 7.353 -4.879 1.00 0.00 H new ATOM 133 N GLU A 12 2.918 8.841 -5.663 1.00 0.00 N ATOM 134 CA GLU A 12 4.193 9.547 -5.719 1.00 0.00 C ATOM 135 C GLU A 12 4.548 10.137 -4.357 1.00 0.00 C ATOM 136 O GLU A 12 3.920 11.091 -3.898 1.00 0.00 O ATOM 137 CB GLU A 12 4.141 10.657 -6.770 1.00 0.00 C ATOM 138 CG GLU A 12 4.329 10.158 -8.193 1.00 0.00 C ATOM 139 CD GLU A 12 4.979 11.191 -9.092 1.00 0.00 C ATOM 140 OE1 GLU A 12 4.781 12.399 -8.847 1.00 0.00 O ATOM 141 OE2 GLU A 12 5.687 10.791 -10.041 1.00 0.00 O ATOM 0 H GLU A 12 2.105 9.420 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 12 4.965 8.829 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.182 11.170 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.913 11.393 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.941 9.256 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.360 9.879 -8.607 1.00 0.00 H new ATOM 148 N LYS A 13 5.559 9.562 -3.715 1.00 0.00 N ATOM 149 CA LYS A 13 6.001 10.029 -2.407 1.00 0.00 C ATOM 150 C LYS A 13 7.520 10.148 -2.355 1.00 0.00 C ATOM 151 O LYS A 13 8.201 9.956 -3.363 1.00 0.00 O ATOM 152 CB LYS A 13 5.516 9.076 -1.312 1.00 0.00 C ATOM 153 CG LYS A 13 6.293 7.772 -1.252 1.00 0.00 C ATOM 154 CD LYS A 13 6.281 7.179 0.147 1.00 0.00 C ATOM 155 CE LYS A 13 6.722 5.724 0.139 1.00 0.00 C ATOM 156 NZ LYS A 13 6.068 4.940 1.223 1.00 0.00 N ATOM 0 H LYS A 13 6.088 8.770 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 13 5.572 11.016 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.589 9.578 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.462 8.854 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.862 7.058 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.322 7.946 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.941 7.757 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.278 7.254 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.484 5.278 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.804 5.672 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.273 3.929 1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.434 5.251 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.040 5.092 1.189 1.00 0.00 H new ATOM 170 N GLN A 14 8.045 10.464 -1.176 1.00 0.00 N ATOM 171 CA GLN A 14 9.485 10.608 -0.995 1.00 0.00 C ATOM 172 C GLN A 14 10.049 9.449 -0.179 1.00 0.00 C ATOM 173 O GLN A 14 9.427 8.988 0.778 1.00 0.00 O ATOM 174 CB GLN A 14 9.804 11.935 -0.304 1.00 0.00 C ATOM 175 CG GLN A 14 9.385 13.155 -1.109 1.00 0.00 C ATOM 176 CD GLN A 14 9.722 14.458 -0.411 1.00 0.00 C ATOM 177 OE1 GLN A 14 8.870 15.067 0.238 1.00 0.00 O ATOM 178 NE2 GLN A 14 10.970 14.893 -0.540 1.00 0.00 N ATOM 0 H GLN A 14 7.495 10.625 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 14 9.952 10.598 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.305 11.960 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.876 11.987 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.877 13.130 -2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.312 13.113 -1.293 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.643 14.356 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.255 15.764 -0.092 1.00 0.00 H new ATOM 187 N LYS A 15 11.231 8.980 -0.566 1.00 0.00 N ATOM 188 CA LYS A 15 11.881 7.876 0.129 1.00 0.00 C ATOM 189 C LYS A 15 12.181 8.245 1.578 1.00 0.00 C ATOM 190 O LYS A 15 12.496 9.394 1.884 1.00 0.00 O ATOM 191 CB LYS A 15 13.176 7.487 -0.587 1.00 0.00 C ATOM 192 CG LYS A 15 12.982 7.149 -2.055 1.00 0.00 C ATOM 193 CD LYS A 15 14.223 7.469 -2.871 1.00 0.00 C ATOM 194 CE LYS A 15 13.881 7.722 -4.331 1.00 0.00 C ATOM 195 NZ LYS A 15 15.076 8.135 -5.117 1.00 0.00 N ATOM 0 H LYS A 15 11.758 9.348 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 15 11.199 7.025 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.888 8.308 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.617 6.629 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.742 6.091 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.133 7.708 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.717 8.347 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.930 6.642 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.455 6.818 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.118 8.497 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.801 8.298 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.468 9.012 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.795 7.384 -5.076 1.00 0.00 H new ATOM 209 N GLY A 16 12.081 7.262 2.468 1.00 0.00 N ATOM 210 CA GLY A 16 12.345 7.504 3.874 1.00 0.00 C ATOM 211 C GLY A 16 11.074 7.640 4.688 1.00 0.00 C ATOM 212 O GLY A 16 11.046 7.293 5.869 1.00 0.00 O ATOM 0 H GLY A 16 11.822 6.302 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.943 6.685 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.938 8.413 3.978 1.00 0.00 H new ATOM 216 N GLU A 17 10.021 8.149 4.057 1.00 0.00 N ATOM 217 CA GLU A 17 8.741 8.333 4.733 1.00 0.00 C ATOM 218 C GLU A 17 7.790 7.181 4.419 1.00 0.00 C ATOM 219 O GLU A 17 7.976 6.459 3.439 1.00 0.00 O ATOM 220 CB GLU A 17 8.106 9.661 4.317 1.00 0.00 C ATOM 221 CG GLU A 17 7.991 9.836 2.812 1.00 0.00 C ATOM 222 CD GLU A 17 6.801 10.687 2.413 1.00 0.00 C ATOM 223 OE1 GLU A 17 6.828 11.907 2.676 1.00 0.00 O ATOM 224 OE2 GLU A 17 5.841 10.131 1.838 1.00 0.00 O ATOM 0 H GLU A 17 10.028 8.441 3.080 1.00 0.00 H new ATOM 0 HA GLU A 17 8.925 8.347 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.113 9.733 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.697 10.480 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.904 10.294 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.907 8.856 2.341 1.00 0.00 H new ATOM 231 N ILE A 18 6.773 7.017 5.258 1.00 0.00 N ATOM 232 CA ILE A 18 5.792 5.955 5.070 1.00 0.00 C ATOM 233 C ILE A 18 4.719 6.368 4.069 1.00 0.00 C ATOM 234 O ILE A 18 4.653 7.526 3.655 1.00 0.00 O ATOM 235 CB ILE A 18 5.117 5.571 6.400 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.539 6.813 7.081 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.111 4.873 7.316 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.439 6.502 8.072 1.00 0.00 C ATOM 0 H ILE A 18 6.607 7.606 6.074 1.00 0.00 H new ATOM 0 HA ILE A 18 6.333 5.091 4.683 1.00 0.00 H new ATOM 0 HB ILE A 18 4.300 4.881 6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.341 7.342 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.150 7.488 6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.619 4.608 8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.480 3.969 6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.947 5.541 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.077 7.429 8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.618 6.000 7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.828 5.852 8.856 1.00 0.00 H new ATOM 250 N LEU A 19 3.879 5.414 3.684 1.00 0.00 N ATOM 251 CA LEU A 19 2.806 5.678 2.732 1.00 0.00 C ATOM 252 C LEU A 19 1.649 6.411 3.404 1.00 0.00 C ATOM 253 O LEU A 19 0.589 6.599 2.808 1.00 0.00 O ATOM 254 CB LEU A 19 2.307 4.368 2.119 1.00 0.00 C ATOM 255 CG LEU A 19 1.368 4.503 0.919 1.00 0.00 C ATOM 256 CD1 LEU A 19 2.052 5.256 -0.212 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.906 3.132 0.447 1.00 0.00 C ATOM 0 H LEU A 19 3.920 4.451 4.016 1.00 0.00 H new ATOM 0 HA LEU A 19 3.204 6.314 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.173 3.780 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.794 3.800 2.895 1.00 0.00 H new ATOM 0 HG LEU A 19 0.492 5.073 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.369 5.342 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.332 6.252 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.946 4.714 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.239 3.247 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.771 2.537 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.377 2.628 1.256 1.00 0.00 H new ATOM 269 N GLY A 20 1.861 6.825 4.650 1.00 0.00 N ATOM 270 CA GLY A 20 0.829 7.534 5.382 1.00 0.00 C ATOM 271 C GLY A 20 -0.564 7.044 5.041 1.00 0.00 C ATOM 272 O GLY A 20 -1.428 7.829 4.649 1.00 0.00 O ATOM 0 H GLY A 20 2.730 6.682 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.001 7.416 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.900 8.600 5.163 1.00 0.00 H new ATOM 276 N VAL A 21 -0.784 5.741 5.188 1.00 0.00 N ATOM 277 CA VAL A 21 -2.082 5.147 4.892 1.00 0.00 C ATOM 278 C VAL A 21 -2.317 3.895 5.729 1.00 0.00 C ATOM 279 O VAL A 21 -1.379 3.164 6.049 1.00 0.00 O ATOM 280 CB VAL A 21 -2.207 4.784 3.400 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.576 3.428 3.126 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.665 4.800 2.968 1.00 0.00 C ATOM 0 H VAL A 21 -0.080 5.077 5.510 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.836 5.894 5.141 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.671 5.532 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.674 3.188 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.520 3.457 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.081 2.665 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.734 4.541 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.227 4.075 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.080 5.795 3.126 1.00 0.00 H new ATOM 292 N VAL A 22 -3.576 3.652 6.082 1.00 0.00 N ATOM 293 CA VAL A 22 -3.935 2.487 6.881 1.00 0.00 C ATOM 294 C VAL A 22 -4.803 1.520 6.084 1.00 0.00 C ATOM 295 O VAL A 22 -5.644 1.938 5.287 1.00 0.00 O ATOM 296 CB VAL A 22 -4.684 2.895 8.163 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.979 1.674 9.021 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.882 3.924 8.944 1.00 0.00 C ATOM 0 H VAL A 22 -4.364 4.247 5.827 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.003 1.992 7.155 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.634 3.348 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.509 1.982 9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.597 0.975 8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.043 1.189 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.426 4.201 9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.916 3.500 9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.728 4.810 8.327 1.00 0.00 H new ATOM 308 N ILE A 23 -4.594 0.226 6.304 1.00 0.00 N ATOM 309 CA ILE A 23 -5.359 -0.800 5.607 1.00 0.00 C ATOM 310 C ILE A 23 -5.960 -1.800 6.589 1.00 0.00 C ATOM 311 O ILE A 23 -5.442 -1.994 7.689 1.00 0.00 O ATOM 312 CB ILE A 23 -4.487 -1.558 4.589 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.340 -2.277 5.302 1.00 0.00 C ATOM 314 CG2 ILE A 23 -3.946 -0.601 3.538 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.883 -3.534 4.596 1.00 0.00 C ATOM 0 H ILE A 23 -3.901 -0.136 6.959 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.162 -0.289 5.076 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.105 -2.304 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.495 -1.594 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.655 -2.532 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.332 -1.152 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.777 -0.130 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.341 0.166 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.068 -3.991 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.714 -4.236 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.537 -3.283 3.593 1.00 0.00 H new ATOM 327 N VAL A 24 -7.055 -2.435 6.184 1.00 0.00 N ATOM 328 CA VAL A 24 -7.725 -3.417 7.026 1.00 0.00 C ATOM 329 C VAL A 24 -8.275 -4.571 6.195 1.00 0.00 C ATOM 330 O VAL A 24 -8.254 -4.527 4.965 1.00 0.00 O ATOM 331 CB VAL A 24 -8.879 -2.780 7.824 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.345 -1.731 8.788 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.907 -2.174 6.881 1.00 0.00 C ATOM 0 H VAL A 24 -7.497 -2.286 5.277 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.978 -3.797 7.722 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.369 -3.560 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.174 -1.292 9.343 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.649 -2.198 9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.829 -0.951 8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.715 -1.729 7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.432 -1.406 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.311 -2.953 6.234 1.00 0.00 H new ATOM 343 N GLU A 25 -8.765 -5.603 6.875 1.00 0.00 N ATOM 344 CA GLU A 25 -9.320 -6.769 6.198 1.00 0.00 C ATOM 345 C GLU A 25 -10.473 -6.369 5.282 1.00 0.00 C ATOM 346 O GLU A 25 -11.392 -5.662 5.696 1.00 0.00 O ATOM 347 CB GLU A 25 -9.800 -7.800 7.221 1.00 0.00 C ATOM 348 CG GLU A 25 -8.725 -8.226 8.207 1.00 0.00 C ATOM 349 CD GLU A 25 -8.938 -9.633 8.731 1.00 0.00 C ATOM 350 OE1 GLU A 25 -9.457 -10.476 7.970 1.00 0.00 O ATOM 351 OE2 GLU A 25 -8.587 -9.890 9.901 1.00 0.00 O ATOM 0 H GLU A 25 -8.789 -5.655 7.893 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.532 -7.212 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.644 -7.386 7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.166 -8.680 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.750 -8.166 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.709 -7.529 9.045 1.00 0.00 H new ATOM 358 N SER A 26 -10.417 -6.826 4.035 1.00 0.00 N ATOM 359 CA SER A 26 -11.454 -6.514 3.059 1.00 0.00 C ATOM 360 C SER A 26 -12.665 -7.423 3.243 1.00 0.00 C ATOM 361 O SER A 26 -13.561 -7.460 2.400 1.00 0.00 O ATOM 362 CB SER A 26 -10.906 -6.656 1.638 1.00 0.00 C ATOM 363 OG SER A 26 -10.018 -5.597 1.325 1.00 0.00 O ATOM 0 H SER A 26 -9.664 -7.414 3.677 1.00 0.00 H new ATOM 0 HA SER A 26 -11.769 -5.483 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.388 -7.610 1.538 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.731 -6.665 0.926 1.00 0.00 H new ATOM 0 HG SER A 26 -9.793 -5.630 0.372 1.00 0.00 H new ATOM 437 N LEU A 32 -12.966 -10.374 -3.696 1.00 0.00 N ATOM 438 CA LEU A 32 -11.581 -10.721 -3.394 1.00 0.00 C ATOM 439 C LEU A 32 -11.118 -10.043 -2.108 1.00 0.00 C ATOM 440 O LEU A 32 -10.734 -8.874 -2.097 1.00 0.00 O ATOM 441 CB LEU A 32 -10.669 -10.317 -4.553 1.00 0.00 C ATOM 442 CG LEU A 32 -10.645 -11.268 -5.750 1.00 0.00 C ATOM 443 CD1 LEU A 32 -9.982 -12.584 -5.374 1.00 0.00 C ATOM 444 CD2 LEU A 32 -12.055 -11.509 -6.269 1.00 0.00 C ATOM 0 HA LEU A 32 -11.525 -11.801 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.975 -9.331 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.652 -10.218 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.061 -10.805 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.974 -13.248 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.958 -12.396 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.538 -13.053 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.018 -12.188 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.663 -11.950 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.495 -10.561 -6.579 1.00 0.00 H new ATOM 456 N PRO A 33 -11.154 -10.794 -0.997 1.00 0.00 N ATOM 457 CA PRO A 33 -10.738 -10.288 0.314 1.00 0.00 C ATOM 458 C PRO A 33 -9.233 -10.060 0.398 1.00 0.00 C ATOM 459 O PRO A 33 -8.477 -10.960 0.767 1.00 0.00 O ATOM 460 CB PRO A 33 -11.165 -11.400 1.276 1.00 0.00 C ATOM 461 CG PRO A 33 -11.186 -12.634 0.441 1.00 0.00 C ATOM 462 CD PRO A 33 -11.601 -12.196 -0.936 1.00 0.00 C ATOM 0 HA PRO A 33 -11.184 -9.319 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.466 -11.496 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.145 -11.196 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.205 -13.108 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.885 -13.366 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.130 -12.802 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.679 -12.281 -1.077 1.00 0.00 H new ATOM 470 N THR A 34 -8.802 -8.851 0.053 1.00 0.00 N ATOM 471 CA THR A 34 -7.386 -8.505 0.089 1.00 0.00 C ATOM 472 C THR A 34 -7.096 -7.487 1.186 1.00 0.00 C ATOM 473 O THR A 34 -6.564 -7.832 2.241 1.00 0.00 O ATOM 474 CB THR A 34 -6.913 -7.936 -1.262 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.645 -6.746 -1.576 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.096 -8.957 -2.374 1.00 0.00 C ATOM 0 H THR A 34 -9.413 -8.095 -0.255 1.00 0.00 H new ATOM 0 HA THR A 34 -6.841 -9.425 0.299 1.00 0.00 H new ATOM 0 HB THR A 34 -5.852 -7.699 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.049 -6.100 -2.009 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.755 -8.532 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.514 -9.850 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.150 -9.222 -2.455 1.00 0.00 H new ATOM 484 N VAL A 35 -7.450 -6.232 0.931 1.00 0.00 N ATOM 485 CA VAL A 35 -7.229 -5.163 1.898 1.00 0.00 C ATOM 486 C VAL A 35 -7.807 -3.843 1.400 1.00 0.00 C ATOM 487 O VAL A 35 -7.750 -3.540 0.208 1.00 0.00 O ATOM 488 CB VAL A 35 -5.730 -4.976 2.194 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.301 -5.855 3.359 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.900 -5.277 0.955 1.00 0.00 C ATOM 0 H VAL A 35 -7.891 -5.930 0.062 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.739 -5.456 2.816 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.561 -3.936 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.238 -5.709 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.872 -5.586 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.484 -6.901 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.843 -5.140 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.073 -6.307 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.189 -4.600 0.151 1.00 0.00 H new ATOM 500 N ILE A 36 -8.361 -3.062 2.321 1.00 0.00 N ATOM 501 CA ILE A 36 -8.948 -1.773 1.975 1.00 0.00 C ATOM 502 C ILE A 36 -8.426 -0.669 2.888 1.00 0.00 C ATOM 503 O ILE A 36 -7.985 -0.932 4.008 1.00 0.00 O ATOM 504 CB ILE A 36 -10.485 -1.812 2.063 1.00 0.00 C ATOM 505 CG1 ILE A 36 -10.926 -2.476 3.369 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.065 -2.549 0.865 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.414 -2.380 3.623 1.00 0.00 C ATOM 0 H ILE A 36 -8.416 -3.299 3.312 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.657 -1.560 0.947 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.861 -0.789 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.636 -3.527 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.393 -2.014 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.152 -2.568 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.775 -2.037 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.684 -3.570 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.655 -2.872 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.707 -1.332 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.954 -2.868 2.811 1.00 0.00 H new ATOM 519 N ILE A 37 -8.480 0.567 2.404 1.00 0.00 N ATOM 520 CA ILE A 37 -8.015 1.712 3.178 1.00 0.00 C ATOM 521 C ILE A 37 -8.962 2.015 4.334 1.00 0.00 C ATOM 522 O ILE A 37 -10.151 2.257 4.129 1.00 0.00 O ATOM 523 CB ILE A 37 -7.879 2.968 2.298 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.127 2.635 1.008 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.166 4.075 3.062 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.033 2.205 -0.125 1.00 0.00 C ATOM 0 H ILE A 37 -8.841 0.802 1.479 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.035 1.448 3.574 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.877 3.319 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.556 3.509 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.409 1.840 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.077 4.956 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.738 4.327 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.172 3.735 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.432 1.985 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.586 1.313 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.734 3.007 -0.354 1.00 0.00 H new ATOM 538 N ALA A 38 -8.426 2.000 5.550 1.00 0.00 N ATOM 539 CA ALA A 38 -9.223 2.277 6.739 1.00 0.00 C ATOM 540 C ALA A 38 -9.127 3.747 7.134 1.00 0.00 C ATOM 541 O ALA A 38 -10.054 4.304 7.721 1.00 0.00 O ATOM 542 CB ALA A 38 -8.777 1.389 7.891 1.00 0.00 C ATOM 0 H ALA A 38 -7.444 1.799 5.738 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.265 2.057 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.380 1.606 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.903 0.342 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.727 1.581 8.113 1.00 0.00 H new ATOM 548 N ASN A 39 -7.999 4.370 6.808 1.00 0.00 N ATOM 549 CA ASN A 39 -7.782 5.776 7.130 1.00 0.00 C ATOM 550 C ASN A 39 -6.580 6.329 6.370 1.00 0.00 C ATOM 551 O ASN A 39 -5.687 5.581 5.972 1.00 0.00 O ATOM 552 CB ASN A 39 -7.571 5.949 8.636 1.00 0.00 C ATOM 553 CG ASN A 39 -8.022 7.310 9.130 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.246 8.265 9.147 1.00 0.00 O ATOM 555 ND2 ASN A 39 -9.283 7.403 9.536 1.00 0.00 N ATOM 0 H ASN A 39 -7.222 3.924 6.321 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.668 6.333 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.119 5.172 9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.515 5.812 8.870 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.644 8.293 9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.891 6.584 9.504 1.00 0.00 H new ATOM 562 N MET A 40 -6.565 7.643 6.173 1.00 0.00 N ATOM 563 CA MET A 40 -5.472 8.297 5.463 1.00 0.00 C ATOM 564 C MET A 40 -4.801 9.345 6.344 1.00 0.00 C ATOM 565 O MET A 40 -5.469 10.190 6.939 1.00 0.00 O ATOM 566 CB MET A 40 -5.989 8.948 4.178 1.00 0.00 C ATOM 567 CG MET A 40 -6.153 7.972 3.025 1.00 0.00 C ATOM 568 SD MET A 40 -6.547 8.794 1.469 1.00 0.00 S ATOM 569 CE MET A 40 -8.158 8.095 1.115 1.00 0.00 C ATOM 0 H MET A 40 -7.297 8.276 6.495 1.00 0.00 H new ATOM 0 HA MET A 40 -4.733 7.538 5.206 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.949 9.422 4.382 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.301 9.739 3.879 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.234 7.399 2.906 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.943 7.261 3.266 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.551 8.534 0.198 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.067 7.016 0.991 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.837 8.310 1.940 1.00 0.00 H new ATOM 579 N MET A 41 -3.475 9.283 6.423 1.00 0.00 N ATOM 580 CA MET A 41 -2.714 10.228 7.232 1.00 0.00 C ATOM 581 C MET A 41 -3.007 11.665 6.810 1.00 0.00 C ATOM 582 O MET A 41 -3.057 11.974 5.619 1.00 0.00 O ATOM 583 CB MET A 41 -1.215 9.945 7.110 1.00 0.00 C ATOM 584 CG MET A 41 -0.389 10.549 8.234 1.00 0.00 C ATOM 585 SD MET A 41 -0.503 9.603 9.765 1.00 0.00 S ATOM 586 CE MET A 41 0.292 8.074 9.279 1.00 0.00 C ATOM 0 H MET A 41 -2.906 8.589 5.937 1.00 0.00 H new ATOM 0 HA MET A 41 -3.017 10.104 8.272 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.057 8.867 7.093 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.856 10.334 6.157 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.654 10.606 7.923 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.723 11.570 8.417 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.759 7.614 10.150 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.451 7.394 8.864 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.053 8.283 8.527 1.00 0.00 H new ATOM 596 N HIS A 42 -3.201 12.538 7.793 1.00 0.00 N ATOM 597 CA HIS A 42 -3.489 13.942 7.523 1.00 0.00 C ATOM 598 C HIS A 42 -2.240 14.669 7.034 1.00 0.00 C ATOM 599 O HIS A 42 -1.624 15.432 7.775 1.00 0.00 O ATOM 600 CB HIS A 42 -4.031 14.624 8.779 1.00 0.00 C ATOM 601 CG HIS A 42 -5.073 13.821 9.495 1.00 0.00 C ATOM 602 ND1 HIS A 42 -4.813 13.104 10.643 1.00 0.00 N ATOM 603 CD2 HIS A 42 -6.384 13.625 9.219 1.00 0.00 C ATOM 604 CE1 HIS A 42 -5.918 12.500 11.043 1.00 0.00 C ATOM 605 NE2 HIS A 42 -6.886 12.800 10.196 1.00 0.00 N ATOM 0 H HIS A 42 -3.164 12.298 8.784 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.245 13.988 6.739 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.204 14.821 9.461 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.454 15.590 8.504 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.933 14.040 8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.013 11.869 11.914 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.850 12.472 10.257 1.00 0.00 H new ATOM 614 N GLY A 43 -1.871 14.424 5.780 1.00 0.00 N ATOM 615 CA GLY A 43 -0.697 15.062 5.214 1.00 0.00 C ATOM 616 C GLY A 43 0.305 14.059 4.675 1.00 0.00 C ATOM 617 O GLY A 43 1.490 14.362 4.550 1.00 0.00 O ATOM 0 H GLY A 43 -2.364 13.795 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.003 15.732 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.218 15.676 5.977 1.00 0.00 H new ATOM 621 N GLY A 44 -0.173 12.860 4.356 1.00 0.00 N ATOM 622 CA GLY A 44 0.702 11.828 3.834 1.00 0.00 C ATOM 623 C GLY A 44 0.655 11.738 2.321 1.00 0.00 C ATOM 624 O GLY A 44 -0.006 12.532 1.652 1.00 0.00 O ATOM 0 H GLY A 44 -1.151 12.586 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.725 12.029 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.419 10.866 4.261 1.00 0.00 H new ATOM 628 N PRO A 45 1.371 10.752 1.760 1.00 0.00 N ATOM 629 CA PRO A 45 1.425 10.539 0.311 1.00 0.00 C ATOM 630 C PRO A 45 0.101 10.030 -0.250 1.00 0.00 C ATOM 631 O PRO A 45 -0.316 10.426 -1.338 1.00 0.00 O ATOM 632 CB PRO A 45 2.517 9.479 0.149 1.00 0.00 C ATOM 633 CG PRO A 45 2.535 8.752 1.449 1.00 0.00 C ATOM 634 CD PRO A 45 2.182 9.769 2.498 1.00 0.00 C ATOM 0 HA PRO A 45 1.626 11.464 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.295 8.805 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.484 9.936 -0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.819 7.930 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.517 8.319 1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.622 9.322 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.072 10.226 2.931 1.00 0.00 H new ATOM 642 N ALA A 46 -0.555 9.151 0.500 1.00 0.00 N ATOM 643 CA ALA A 46 -1.833 8.590 0.078 1.00 0.00 C ATOM 644 C ALA A 46 -2.955 9.613 0.219 1.00 0.00 C ATOM 645 O ALA A 46 -3.866 9.665 -0.605 1.00 0.00 O ATOM 646 CB ALA A 46 -2.152 7.340 0.884 1.00 0.00 C ATOM 0 H ALA A 46 -0.223 8.812 1.403 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.753 8.320 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.109 6.932 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.369 6.598 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.207 7.594 1.943 1.00 0.00 H new ATOM 652 N GLU A 47 -2.881 10.425 1.270 1.00 0.00 N ATOM 653 CA GLU A 47 -3.892 11.445 1.518 1.00 0.00 C ATOM 654 C GLU A 47 -3.830 12.542 0.459 1.00 0.00 C ATOM 655 O GLU A 47 -4.849 13.135 0.102 1.00 0.00 O ATOM 656 CB GLU A 47 -3.704 12.054 2.909 1.00 0.00 C ATOM 657 CG GLU A 47 -4.566 13.280 3.160 1.00 0.00 C ATOM 658 CD GLU A 47 -5.910 12.933 3.771 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.746 12.332 3.064 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.124 13.261 4.957 1.00 0.00 O ATOM 0 H GLU A 47 -2.132 10.396 1.962 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.871 10.969 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.934 11.299 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.656 12.325 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.035 13.963 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.724 13.807 2.219 1.00 0.00 H new ATOM 667 N LYS A 48 -2.628 12.807 -0.041 1.00 0.00 N ATOM 668 CA LYS A 48 -2.431 13.831 -1.059 1.00 0.00 C ATOM 669 C LYS A 48 -2.612 13.249 -2.458 1.00 0.00 C ATOM 670 O LYS A 48 -3.135 13.913 -3.353 1.00 0.00 O ATOM 671 CB LYS A 48 -1.036 14.448 -0.929 1.00 0.00 C ATOM 672 CG LYS A 48 -0.925 15.470 0.189 1.00 0.00 C ATOM 673 CD LYS A 48 0.502 15.967 0.350 1.00 0.00 C ATOM 674 CE LYS A 48 1.285 15.105 1.328 1.00 0.00 C ATOM 675 NZ LYS A 48 2.455 15.831 1.894 1.00 0.00 N ATOM 0 H LYS A 48 -1.775 12.326 0.243 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.181 14.608 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.311 13.653 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.769 14.924 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.583 16.313 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.264 15.026 1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.001 15.964 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.492 16.999 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.628 14.787 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.628 14.202 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.558 15.592 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.317 15.554 1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.309 16.856 1.795 1.00 0.00 H new ATOM 689 N SER A 49 -2.177 12.006 -2.638 1.00 0.00 N ATOM 690 CA SER A 49 -2.290 11.336 -3.928 1.00 0.00 C ATOM 691 C SER A 49 -3.711 11.443 -4.473 1.00 0.00 C ATOM 692 O SER A 49 -3.915 11.723 -5.654 1.00 0.00 O ATOM 693 CB SER A 49 -1.890 9.865 -3.799 1.00 0.00 C ATOM 694 OG SER A 49 -2.799 9.160 -2.971 1.00 0.00 O ATOM 0 H SER A 49 -1.743 11.443 -1.907 1.00 0.00 H new ATOM 0 HA SER A 49 -1.614 11.829 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.861 9.405 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.885 9.793 -3.384 1.00 0.00 H new ATOM 0 HG SER A 49 -3.122 9.753 -2.260 1.00 0.00 H new ATOM 700 N GLY A 50 -4.691 11.218 -3.603 1.00 0.00 N ATOM 701 CA GLY A 50 -6.080 11.293 -4.015 1.00 0.00 C ATOM 702 C GLY A 50 -6.441 10.231 -5.034 1.00 0.00 C ATOM 703 O GLY A 50 -7.427 10.364 -5.760 1.00 0.00 O ATOM 0 H GLY A 50 -4.547 10.985 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.721 11.186 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.278 12.279 -4.436 1.00 0.00 H new ATOM 707 N LYS A 51 -5.641 9.172 -5.091 1.00 0.00 N ATOM 708 CA LYS A 51 -5.880 8.081 -6.029 1.00 0.00 C ATOM 709 C LYS A 51 -6.855 7.064 -5.444 1.00 0.00 C ATOM 710 O LYS A 51 -7.661 6.476 -6.166 1.00 0.00 O ATOM 711 CB LYS A 51 -4.561 7.392 -6.388 1.00 0.00 C ATOM 712 CG LYS A 51 -3.462 8.356 -6.798 1.00 0.00 C ATOM 713 CD LYS A 51 -3.464 8.598 -8.298 1.00 0.00 C ATOM 714 CE LYS A 51 -4.347 9.778 -8.672 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.461 9.940 -10.148 1.00 0.00 N ATOM 0 H LYS A 51 -4.821 9.046 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.321 8.502 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.221 6.809 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.738 6.689 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.594 9.303 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.494 7.957 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.445 8.782 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.815 7.703 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.340 9.638 -8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.938 10.690 -8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.071 10.755 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.517 10.099 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.875 9.080 -10.561 1.00 0.00 H new ATOM 729 N LEU A 52 -6.777 6.863 -4.134 1.00 0.00 N ATOM 730 CA LEU A 52 -7.654 5.918 -3.451 1.00 0.00 C ATOM 731 C LEU A 52 -8.688 6.650 -2.603 1.00 0.00 C ATOM 732 O LEU A 52 -8.740 7.879 -2.593 1.00 0.00 O ATOM 733 CB LEU A 52 -6.833 4.973 -2.572 1.00 0.00 C ATOM 734 CG LEU A 52 -5.504 5.524 -2.053 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.533 5.747 -3.202 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.728 6.817 -1.283 1.00 0.00 C ATOM 0 H LEU A 52 -6.115 7.342 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.179 5.335 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.443 4.684 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.630 4.065 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.069 4.791 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.593 6.139 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.348 4.801 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.960 6.461 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.772 7.195 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.186 7.557 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.387 6.627 -0.436 1.00 0.00 H new ATOM 748 N ASN A 53 -9.509 5.886 -1.889 1.00 0.00 N ATOM 749 CA ASN A 53 -10.542 6.463 -1.036 1.00 0.00 C ATOM 750 C ASN A 53 -10.954 5.482 0.057 1.00 0.00 C ATOM 751 O ASN A 53 -10.927 4.267 -0.142 1.00 0.00 O ATOM 752 CB ASN A 53 -11.762 6.856 -1.871 1.00 0.00 C ATOM 753 CG ASN A 53 -11.393 7.233 -3.292 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.864 6.272 -4.041 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.581 8.375 -3.712 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.479 4.866 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.132 7.355 -0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.468 6.026 -1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.269 7.695 -1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.990 9.082 -3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.327 8.614 -4.671 1.00 0.00 H new ATOM 762 N ILE A 54 -11.336 6.017 1.212 1.00 0.00 N ATOM 763 CA ILE A 54 -11.755 5.189 2.336 1.00 0.00 C ATOM 764 C ILE A 54 -12.779 4.147 1.899 1.00 0.00 C ATOM 765 O ILE A 54 -13.940 4.469 1.650 1.00 0.00 O ATOM 766 CB ILE A 54 -12.358 6.041 3.469 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.364 7.118 3.911 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.749 5.159 4.644 1.00 0.00 C ATOM 769 CD1 ILE A 54 -10.113 6.558 4.550 1.00 0.00 C ATOM 0 H ILE A 54 -11.364 7.020 1.394 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.862 4.685 2.707 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.256 6.533 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.083 7.719 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.855 7.787 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.173 5.776 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.488 4.426 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.866 4.642 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.454 7.377 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.383 5.981 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.599 5.912 3.838 1.00 0.00 H new ATOM 781 N GLY A 55 -12.341 2.895 1.810 1.00 0.00 N ATOM 782 CA GLY A 55 -13.232 1.824 1.404 1.00 0.00 C ATOM 783 C GLY A 55 -12.703 1.049 0.214 1.00 0.00 C ATOM 784 O GLY A 55 -13.060 -0.112 0.013 1.00 0.00 O ATOM 0 H GLY A 55 -11.385 2.603 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.380 1.142 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.208 2.242 1.157 1.00 0.00 H new ATOM 788 N ASP A 56 -11.851 1.691 -0.577 1.00 0.00 N ATOM 789 CA ASP A 56 -11.271 1.054 -1.754 1.00 0.00 C ATOM 790 C ASP A 56 -10.334 -0.081 -1.352 1.00 0.00 C ATOM 791 O ASP A 56 -9.649 0.000 -0.334 1.00 0.00 O ATOM 792 CB ASP A 56 -10.516 2.083 -2.597 1.00 0.00 C ATOM 793 CG ASP A 56 -11.398 2.736 -3.642 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.582 2.994 -3.341 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.905 2.987 -4.762 1.00 0.00 O ATOM 0 H ASP A 56 -11.546 2.652 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.083 0.636 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.103 2.851 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.674 1.597 -3.089 1.00 0.00 H new ATOM 800 N GLN A 57 -10.312 -1.137 -2.159 1.00 0.00 N ATOM 801 CA GLN A 57 -9.460 -2.288 -1.886 1.00 0.00 C ATOM 802 C GLN A 57 -8.326 -2.380 -2.902 1.00 0.00 C ATOM 803 O GLN A 57 -8.447 -1.892 -4.027 1.00 0.00 O ATOM 804 CB GLN A 57 -10.285 -3.576 -1.908 1.00 0.00 C ATOM 805 CG GLN A 57 -10.328 -4.249 -3.270 1.00 0.00 C ATOM 806 CD GLN A 57 -11.501 -5.198 -3.416 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.312 -6.442 -2.994 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.566 -4.816 -3.904 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.874 -1.219 -3.006 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.026 -2.159 -0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.872 -4.274 -1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.303 -3.351 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.384 -3.486 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.400 -4.798 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.667 -3.850 -4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.347 -5.466 -3.997 1.00 0.00 H new ATOM 817 N ILE A 58 -7.226 -3.006 -2.499 1.00 0.00 N ATOM 818 CA ILE A 58 -6.072 -3.162 -3.375 1.00 0.00 C ATOM 819 C ILE A 58 -6.020 -4.563 -3.973 1.00 0.00 C ATOM 820 O ILE A 58 -5.945 -5.556 -3.249 1.00 0.00 O ATOM 821 CB ILE A 58 -4.755 -2.888 -2.624 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.867 -1.599 -1.806 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.595 -2.799 -3.605 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.679 -1.350 -0.905 1.00 0.00 C ATOM 0 H ILE A 58 -7.110 -3.414 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.184 -2.432 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.565 -3.715 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.980 -0.755 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.771 -1.641 -1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.671 -2.605 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.505 -3.740 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.777 -1.988 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.827 -0.420 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.578 -2.175 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.774 -1.275 -1.508 1.00 0.00 H new ATOM 836 N MET A 59 -6.061 -4.637 -5.299 1.00 0.00 N ATOM 837 CA MET A 59 -6.015 -5.917 -5.995 1.00 0.00 C ATOM 838 C MET A 59 -4.616 -6.520 -5.934 1.00 0.00 C ATOM 839 O MET A 59 -4.458 -7.734 -5.807 1.00 0.00 O ATOM 840 CB MET A 59 -6.446 -5.745 -7.453 1.00 0.00 C ATOM 841 CG MET A 59 -7.944 -5.890 -7.666 1.00 0.00 C ATOM 842 SD MET A 59 -8.433 -7.586 -8.034 1.00 0.00 S ATOM 843 CE MET A 59 -8.430 -8.303 -6.392 1.00 0.00 C ATOM 0 H MET A 59 -6.126 -3.825 -5.913 1.00 0.00 H new ATOM 0 HA MET A 59 -6.706 -6.597 -5.497 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.131 -4.762 -7.803 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.927 -6.482 -8.066 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.468 -5.551 -6.773 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.255 -5.241 -8.484 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.959 -9.256 -6.410 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.402 -8.465 -6.068 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.927 -7.625 -5.698 1.00 0.00 H new ATOM 853 N SER A 60 -3.603 -5.664 -6.026 1.00 0.00 N ATOM 854 CA SER A 60 -2.216 -6.114 -5.985 1.00 0.00 C ATOM 855 C SER A 60 -1.275 -4.946 -5.703 1.00 0.00 C ATOM 856 O SER A 60 -1.681 -3.785 -5.740 1.00 0.00 O ATOM 857 CB SER A 60 -1.836 -6.783 -7.307 1.00 0.00 C ATOM 858 OG SER A 60 -2.148 -5.949 -8.409 1.00 0.00 O ATOM 0 H SER A 60 -3.716 -4.656 -6.129 1.00 0.00 H new ATOM 0 HA SER A 60 -2.118 -6.840 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.770 -7.011 -7.310 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.365 -7.731 -7.403 1.00 0.00 H new ATOM 0 HG SER A 60 -1.894 -6.399 -9.242 1.00 0.00 H new ATOM 864 N ILE A 61 -0.016 -5.265 -5.423 1.00 0.00 N ATOM 865 CA ILE A 61 0.984 -4.243 -5.136 1.00 0.00 C ATOM 866 C ILE A 61 2.205 -4.401 -6.036 1.00 0.00 C ATOM 867 O ILE A 61 2.989 -5.335 -5.876 1.00 0.00 O ATOM 868 CB ILE A 61 1.435 -4.294 -3.665 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.284 -3.889 -2.741 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.638 -3.389 -3.448 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.556 -4.164 -1.279 1.00 0.00 C ATOM 0 H ILE A 61 0.336 -6.222 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 61 0.514 -3.279 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 61 1.726 -5.317 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.082 -2.826 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.617 -4.424 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.945 -3.436 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.460 -3.719 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.372 -2.363 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.302 -3.852 -0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.728 -5.231 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.438 -3.608 -0.962 1.00 0.00 H new ATOM 883 N ASN A 62 2.360 -3.480 -6.981 1.00 0.00 N ATOM 884 CA ASN A 62 3.487 -3.516 -7.906 1.00 0.00 C ATOM 885 C ASN A 62 3.557 -4.859 -8.626 1.00 0.00 C ATOM 886 O ASN A 62 4.635 -5.321 -8.998 1.00 0.00 O ATOM 887 CB ASN A 62 4.796 -3.256 -7.159 1.00 0.00 C ATOM 888 CG ASN A 62 5.028 -1.781 -6.894 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.357 -0.923 -7.468 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.983 -1.480 -6.022 1.00 0.00 N ATOM 0 H ASN A 62 1.720 -2.700 -7.127 1.00 0.00 H new ATOM 0 HA ASN A 62 3.340 -2.733 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.784 -3.795 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.628 -3.653 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.186 -0.504 -5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.514 -2.224 -5.570 1.00 0.00 H new ATOM 897 N GLY A 63 2.398 -5.482 -8.820 1.00 0.00 N ATOM 898 CA GLY A 63 2.350 -6.766 -9.495 1.00 0.00 C ATOM 899 C GLY A 63 2.368 -7.931 -8.526 1.00 0.00 C ATOM 900 O GLY A 63 2.693 -9.058 -8.903 1.00 0.00 O ATOM 0 H GLY A 63 1.492 -5.120 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.448 -6.819 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.199 -6.848 -10.173 1.00 0.00 H new ATOM 904 N THR A 64 2.019 -7.662 -7.272 1.00 0.00 N ATOM 905 CA THR A 64 1.999 -8.696 -6.245 1.00 0.00 C ATOM 906 C THR A 64 0.602 -8.862 -5.659 1.00 0.00 C ATOM 907 O THR A 64 0.219 -8.150 -4.730 1.00 0.00 O ATOM 908 CB THR A 64 2.986 -8.376 -5.107 1.00 0.00 C ATOM 909 OG1 THR A 64 4.324 -8.337 -5.615 1.00 0.00 O ATOM 910 CG2 THR A 64 2.889 -9.414 -3.999 1.00 0.00 C ATOM 0 H THR A 64 1.746 -6.736 -6.943 1.00 0.00 H new ATOM 0 HA THR A 64 2.301 -9.626 -6.727 1.00 0.00 H new ATOM 0 HB THR A 64 2.726 -7.401 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.945 -8.131 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.595 -9.167 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.877 -9.421 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.125 -10.399 -4.402 1.00 0.00 H new ATOM 918 N SER A 65 -0.156 -9.806 -6.207 1.00 0.00 N ATOM 919 CA SER A 65 -1.514 -10.063 -5.740 1.00 0.00 C ATOM 920 C SER A 65 -1.542 -10.243 -4.225 1.00 0.00 C ATOM 921 O SER A 65 -0.627 -10.825 -3.640 1.00 0.00 O ATOM 922 CB SER A 65 -2.083 -11.308 -6.423 1.00 0.00 C ATOM 923 OG SER A 65 -3.389 -11.594 -5.954 1.00 0.00 O ATOM 0 H SER A 65 0.147 -10.406 -6.975 1.00 0.00 H new ATOM 0 HA SER A 65 -2.130 -9.202 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.106 -11.156 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.431 -12.161 -6.234 1.00 0.00 H new ATOM 0 HG SER A 65 -3.732 -12.393 -6.407 1.00 0.00 H new ATOM 929 N LEU A 66 -2.598 -9.740 -3.595 1.00 0.00 N ATOM 930 CA LEU A 66 -2.747 -9.844 -2.148 1.00 0.00 C ATOM 931 C LEU A 66 -3.887 -10.790 -1.785 1.00 0.00 C ATOM 932 O LEU A 66 -4.069 -11.141 -0.619 1.00 0.00 O ATOM 933 CB LEU A 66 -3.002 -8.463 -1.541 1.00 0.00 C ATOM 934 CG LEU A 66 -2.087 -7.337 -2.027 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.626 -5.985 -1.587 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.670 -7.542 -1.512 1.00 0.00 C ATOM 0 H LEU A 66 -3.364 -9.256 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.820 -10.248 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.034 -8.181 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.906 -8.541 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.063 -7.358 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.963 -5.196 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.622 -5.837 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.680 -5.952 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.033 -6.732 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.676 -7.547 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.284 -8.494 -1.877 1.00 0.00 H new ATOM 948 N VAL A 67 -4.652 -11.200 -2.792 1.00 0.00 N ATOM 949 CA VAL A 67 -5.773 -12.109 -2.579 1.00 0.00 C ATOM 950 C VAL A 67 -5.337 -13.348 -1.806 1.00 0.00 C ATOM 951 O VAL A 67 -4.525 -14.139 -2.286 1.00 0.00 O ATOM 952 CB VAL A 67 -6.402 -12.545 -3.915 1.00 0.00 C ATOM 953 CG1 VAL A 67 -7.547 -13.517 -3.674 1.00 0.00 C ATOM 954 CG2 VAL A 67 -6.878 -11.333 -4.701 1.00 0.00 C ATOM 0 H VAL A 67 -4.516 -10.918 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.516 -11.565 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.641 -13.056 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.979 -13.814 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.172 -14.399 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.311 -13.035 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.320 -11.660 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.624 -10.792 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.032 -10.677 -4.906 1.00 0.00 H new ATOM 964 N GLY A 68 -5.882 -13.512 -0.605 1.00 0.00 N ATOM 965 CA GLY A 68 -5.538 -14.658 0.216 1.00 0.00 C ATOM 966 C GLY A 68 -4.577 -14.303 1.334 1.00 0.00 C ATOM 967 O GLY A 68 -4.646 -14.869 2.426 1.00 0.00 O ATOM 0 H GLY A 68 -6.556 -12.871 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.447 -15.081 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.092 -15.430 -0.411 1.00 0.00 H new ATOM 971 N LEU A 69 -3.677 -13.364 1.063 1.00 0.00 N ATOM 972 CA LEU A 69 -2.697 -12.935 2.054 1.00 0.00 C ATOM 973 C LEU A 69 -3.380 -12.259 3.239 1.00 0.00 C ATOM 974 O LEU A 69 -4.362 -11.533 3.089 1.00 0.00 O ATOM 975 CB LEU A 69 -1.686 -11.977 1.419 1.00 0.00 C ATOM 976 CG LEU A 69 -0.665 -12.610 0.473 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.267 -11.550 -0.092 1.00 0.00 C ATOM 978 CD2 LEU A 69 0.128 -13.693 1.191 1.00 0.00 C ATOM 0 H LEU A 69 -3.606 -12.885 0.165 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.173 -13.819 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.235 -11.212 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.145 -11.469 2.218 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.203 -13.071 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.987 -12.019 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.314 -10.811 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.798 -11.060 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.850 -14.132 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.655 -13.256 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.552 -14.467 1.546 1.00 0.00 H new ATOM 990 N PRO A 70 -2.847 -12.501 4.446 1.00 0.00 N ATOM 991 CA PRO A 70 -3.388 -11.923 5.680 1.00 0.00 C ATOM 992 C PRO A 70 -3.151 -10.419 5.768 1.00 0.00 C ATOM 993 O PRO A 70 -2.293 -9.874 5.072 1.00 0.00 O ATOM 994 CB PRO A 70 -2.614 -12.652 6.781 1.00 0.00 C ATOM 995 CG PRO A 70 -1.338 -13.069 6.135 1.00 0.00 C ATOM 996 CD PRO A 70 -1.676 -13.357 4.699 1.00 0.00 C ATOM 0 HA PRO A 70 -4.469 -12.044 5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.431 -11.999 7.635 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.170 -13.513 7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.588 -12.282 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.924 -13.951 6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.848 -13.112 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.908 -14.411 4.544 1.00 0.00 H new ATOM 1004 N LEU A 71 -3.914 -9.754 6.628 1.00 0.00 N ATOM 1005 CA LEU A 71 -3.787 -8.312 6.808 1.00 0.00 C ATOM 1006 C LEU A 71 -2.379 -7.943 7.266 1.00 0.00 C ATOM 1007 O LEU A 71 -1.810 -6.950 6.814 1.00 0.00 O ATOM 1008 CB LEU A 71 -4.814 -7.813 7.825 1.00 0.00 C ATOM 1009 CG LEU A 71 -4.726 -6.332 8.196 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.995 -5.460 6.979 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -5.702 -6.004 9.316 1.00 0.00 C ATOM 0 H LEU A 71 -4.627 -10.190 7.212 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.974 -7.832 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.811 -8.010 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.709 -8.402 8.736 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.716 -6.125 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.928 -4.410 7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.257 -5.675 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.993 -5.669 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.626 -4.946 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.718 -6.227 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.463 -6.603 10.194 1.00 0.00 H new ATOM 1023 N SER A 72 -1.824 -8.751 8.163 1.00 0.00 N ATOM 1024 CA SER A 72 -0.483 -8.508 8.684 1.00 0.00 C ATOM 1025 C SER A 72 0.553 -8.568 7.566 1.00 0.00 C ATOM 1026 O SER A 72 1.470 -7.749 7.508 1.00 0.00 O ATOM 1027 CB SER A 72 -0.141 -9.533 9.767 1.00 0.00 C ATOM 1028 OG SER A 72 -0.115 -10.846 9.237 1.00 0.00 O ATOM 0 H SER A 72 -2.281 -9.579 8.544 1.00 0.00 H new ATOM 0 HA SER A 72 -0.464 -7.509 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.829 -9.295 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.875 -9.476 10.570 1.00 0.00 H new ATOM 0 HG SER A 72 0.108 -11.482 9.949 1.00 0.00 H new ATOM 1034 N THR A 73 0.399 -9.545 6.677 1.00 0.00 N ATOM 1035 CA THR A 73 1.321 -9.714 5.561 1.00 0.00 C ATOM 1036 C THR A 73 1.192 -8.568 4.563 1.00 0.00 C ATOM 1037 O THR A 73 2.153 -7.839 4.314 1.00 0.00 O ATOM 1038 CB THR A 73 1.077 -11.047 4.828 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.551 -12.138 5.626 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.777 -11.058 3.478 1.00 0.00 C ATOM 0 H THR A 73 -0.355 -10.231 6.709 1.00 0.00 H new ATOM 0 HA THR A 73 2.327 -9.717 5.980 1.00 0.00 H new ATOM 0 HB THR A 73 0.005 -11.156 4.664 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.391 -12.982 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.590 -12.009 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.394 -10.244 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.850 -10.929 3.623 1.00 0.00 H new ATOM 1048 N CYS A 74 0.001 -8.415 3.996 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.253 -7.357 3.024 1.00 0.00 C ATOM 1050 C CYS A 74 0.334 -6.032 3.498 1.00 0.00 C ATOM 1051 O CYS A 74 0.888 -5.270 2.706 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.756 -7.207 2.785 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.580 -8.735 2.280 1.00 0.00 S ATOM 0 H CYS A 74 -0.804 -9.010 4.192 1.00 0.00 H new ATOM 0 HA CYS A 74 0.231 -7.633 2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.223 -6.840 3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.917 -6.449 2.018 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.650 -9.546 3.294 1.00 0.00 H new ATOM 1059 N GLN A 75 0.207 -5.764 4.794 1.00 0.00 N ATOM 1060 CA GLN A 75 0.723 -4.529 5.372 1.00 0.00 C ATOM 1061 C GLN A 75 2.228 -4.411 5.150 1.00 0.00 C ATOM 1062 O GLN A 75 2.710 -3.411 4.618 1.00 0.00 O ATOM 1063 CB GLN A 75 0.410 -4.471 6.868 1.00 0.00 C ATOM 1064 CG GLN A 75 -0.923 -3.813 7.186 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.155 -3.655 8.675 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.219 -3.722 9.472 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.409 -3.445 9.060 1.00 0.00 N ATOM 0 H GLN A 75 -0.248 -6.385 5.463 1.00 0.00 H new ATOM 0 HA GLN A 75 0.234 -3.692 4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.411 -5.484 7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.205 -3.926 7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.963 -2.833 6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.729 -4.409 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.154 -3.397 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.626 -3.332 10.050 1.00 0.00 H new ATOM 1076 N SER A 76 2.964 -5.439 5.562 1.00 0.00 N ATOM 1077 CA SER A 76 4.414 -5.449 5.412 1.00 0.00 C ATOM 1078 C SER A 76 4.817 -5.040 3.998 1.00 0.00 C ATOM 1079 O SER A 76 5.740 -4.247 3.809 1.00 0.00 O ATOM 1080 CB SER A 76 4.971 -6.837 5.732 1.00 0.00 C ATOM 1081 OG SER A 76 6.287 -6.751 6.251 1.00 0.00 O ATOM 0 H SER A 76 2.580 -6.275 6.002 1.00 0.00 H new ATOM 0 HA SER A 76 4.832 -4.727 6.113 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.324 -7.334 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.972 -7.449 4.830 1.00 0.00 H new ATOM 0 HG SER A 76 6.620 -7.651 6.449 1.00 0.00 H new ATOM 1087 N ILE A 77 4.118 -5.586 3.009 1.00 0.00 N ATOM 1088 CA ILE A 77 4.402 -5.278 1.613 1.00 0.00 C ATOM 1089 C ILE A 77 4.198 -3.794 1.325 1.00 0.00 C ATOM 1090 O ILE A 77 4.867 -3.221 0.466 1.00 0.00 O ATOM 1091 CB ILE A 77 3.512 -6.101 0.663 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.693 -7.597 0.927 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.836 -5.770 -0.786 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.515 -8.436 0.483 1.00 0.00 C ATOM 0 H ILE A 77 3.351 -6.244 3.148 1.00 0.00 H new ATOM 0 HA ILE A 77 5.446 -5.540 1.438 1.00 0.00 H new ATOM 0 HB ILE A 77 2.470 -5.842 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.589 -7.943 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.858 -7.752 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.199 -6.360 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.660 -4.709 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.881 -6.004 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.713 -9.485 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.620 -8.117 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.363 -8.311 -0.589 1.00 0.00 H new ATOM 1106 N ILE A 78 3.270 -3.179 2.051 1.00 0.00 N ATOM 1107 CA ILE A 78 2.981 -1.761 1.875 1.00 0.00 C ATOM 1108 C ILE A 78 3.929 -0.900 2.702 1.00 0.00 C ATOM 1109 O ILE A 78 4.142 0.275 2.401 1.00 0.00 O ATOM 1110 CB ILE A 78 1.529 -1.430 2.269 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.549 -2.148 1.340 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.299 0.074 2.231 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.835 -2.309 1.929 1.00 0.00 C ATOM 0 H ILE A 78 2.706 -3.640 2.765 1.00 0.00 H new ATOM 0 HA ILE A 78 3.122 -1.539 0.817 1.00 0.00 H new ATOM 0 HB ILE A 78 1.356 -1.778 3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.475 -1.593 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.948 -3.133 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.269 0.292 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.977 0.564 2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.487 0.445 1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.476 -2.826 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.773 -2.890 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.254 -1.327 2.148 1.00 0.00 H new ATOM 1125 N LYS A 79 4.498 -1.491 3.747 1.00 0.00 N ATOM 1126 CA LYS A 79 5.427 -0.781 4.617 1.00 0.00 C ATOM 1127 C LYS A 79 6.814 -0.705 3.987 1.00 0.00 C ATOM 1128 O LYS A 79 7.599 0.191 4.295 1.00 0.00 O ATOM 1129 CB LYS A 79 5.512 -1.472 5.980 1.00 0.00 C ATOM 1130 CG LYS A 79 4.229 -1.384 6.787 1.00 0.00 C ATOM 1131 CD LYS A 79 4.115 -2.529 7.780 1.00 0.00 C ATOM 1132 CE LYS A 79 3.120 -2.211 8.886 1.00 0.00 C ATOM 1133 NZ LYS A 79 3.614 -1.129 9.782 1.00 0.00 N ATOM 0 H LYS A 79 4.331 -2.462 4.012 1.00 0.00 H new ATOM 0 HA LYS A 79 5.053 0.234 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.766 -2.521 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.324 -1.026 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.198 -0.434 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.372 -1.399 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.804 -3.434 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.093 -2.732 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.170 -1.911 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.930 -3.110 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.091 -1.157 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.628 -1.267 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.468 -0.206 9.325 1.00 0.00 H new ATOM 1147 N GLY A 80 7.109 -1.652 3.101 1.00 0.00 N ATOM 1148 CA GLY A 80 8.401 -1.673 2.440 1.00 0.00 C ATOM 1149 C GLY A 80 8.465 -0.722 1.261 1.00 0.00 C ATOM 1150 O GLY A 80 9.318 -0.865 0.384 1.00 0.00 O ATOM 0 H GLY A 80 6.476 -2.405 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.177 -1.409 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.614 -2.686 2.098 1.00 0.00 H new ATOM 1154 N LEU A 81 7.559 0.250 1.237 1.00 0.00 N ATOM 1155 CA LEU A 81 7.515 1.227 0.155 1.00 0.00 C ATOM 1156 C LEU A 81 8.155 2.543 0.583 1.00 0.00 C ATOM 1157 O LEU A 81 8.364 3.440 -0.234 1.00 0.00 O ATOM 1158 CB LEU A 81 6.068 1.469 -0.281 1.00 0.00 C ATOM 1159 CG LEU A 81 5.190 0.224 -0.414 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.760 0.614 -0.752 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.753 -0.715 -1.471 1.00 0.00 C ATOM 0 H LEU A 81 6.846 0.382 1.954 1.00 0.00 H new ATOM 0 HA LEU A 81 8.080 0.826 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.601 2.143 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.080 1.985 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 81 5.186 -0.299 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.150 -0.284 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.359 1.247 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.745 1.160 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.116 -1.595 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.787 -0.202 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.760 -1.021 -1.187 1.00 0.00 H new ATOM 1173 N LYS A 82 8.468 2.652 1.870 1.00 0.00 N ATOM 1174 CA LYS A 82 9.088 3.857 2.409 1.00 0.00 C ATOM 1175 C LYS A 82 10.420 4.136 1.720 1.00 0.00 C ATOM 1176 O LYS A 82 10.693 5.263 1.310 1.00 0.00 O ATOM 1177 CB LYS A 82 9.301 3.715 3.917 1.00 0.00 C ATOM 1178 CG LYS A 82 10.168 4.810 4.515 1.00 0.00 C ATOM 1179 CD LYS A 82 10.876 4.337 5.773 1.00 0.00 C ATOM 1180 CE LYS A 82 10.008 4.528 7.007 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.429 3.639 8.125 1.00 0.00 N ATOM 0 H LYS A 82 8.302 1.919 2.560 1.00 0.00 H new ATOM 0 HA LYS A 82 8.418 4.696 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.331 3.719 4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.760 2.748 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.906 5.132 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.550 5.677 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.137 3.284 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.809 4.887 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.060 5.568 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.967 4.325 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.813 3.800 8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.355 2.646 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.414 3.850 8.384 1.00 0.00 H new ATOM 1195 N ASN A 83 11.246 3.102 1.597 1.00 0.00 N ATOM 1196 CA ASN A 83 12.550 3.237 0.957 1.00 0.00 C ATOM 1197 C ASN A 83 12.400 3.677 -0.496 1.00 0.00 C ATOM 1198 O ASN A 83 13.363 4.116 -1.124 1.00 0.00 O ATOM 1199 CB ASN A 83 13.314 1.913 1.024 1.00 0.00 C ATOM 1200 CG ASN A 83 13.815 1.605 2.422 1.00 0.00 C ATOM 1201 OD1 ASN A 83 13.330 0.684 3.078 1.00 0.00 O ATOM 1202 ND2 ASN A 83 14.791 2.379 2.884 1.00 0.00 N ATOM 0 H ASN A 83 11.036 2.162 1.932 1.00 0.00 H new ATOM 0 HA ASN A 83 13.113 4.001 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.665 1.105 0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 83 14.160 1.950 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.169 2.221 3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.163 3.131 2.304 1.00 0.00 H new ATOM 1209 N GLN A 84 11.185 3.556 -1.023 1.00 0.00 N ATOM 1210 CA GLN A 84 10.910 3.941 -2.402 1.00 0.00 C ATOM 1211 C GLN A 84 9.947 5.124 -2.455 1.00 0.00 C ATOM 1212 O GLN A 84 9.143 5.323 -1.545 1.00 0.00 O ATOM 1213 CB GLN A 84 10.326 2.759 -3.177 1.00 0.00 C ATOM 1214 CG GLN A 84 9.282 1.976 -2.398 1.00 0.00 C ATOM 1215 CD GLN A 84 8.865 0.699 -3.100 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.678 -0.340 -2.466 1.00 0.00 O ATOM 1217 NE2 GLN A 84 8.716 0.770 -4.418 1.00 0.00 N ATOM 0 H GLN A 84 10.377 3.195 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 84 11.851 4.240 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.878 3.127 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.135 2.086 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.678 1.731 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.404 2.603 -2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.881 1.652 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.436 -0.057 -4.945 1.00 0.00 H new ATOM 1226 N SER A 85 10.037 5.906 -3.526 1.00 0.00 N ATOM 1227 CA SER A 85 9.177 7.071 -3.696 1.00 0.00 C ATOM 1228 C SER A 85 7.945 6.721 -4.525 1.00 0.00 C ATOM 1229 O SER A 85 6.813 6.838 -4.055 1.00 0.00 O ATOM 1230 CB SER A 85 9.950 8.209 -4.365 1.00 0.00 C ATOM 1231 OG SER A 85 10.934 7.704 -5.252 1.00 0.00 O ATOM 0 H SER A 85 10.697 5.754 -4.289 1.00 0.00 H new ATOM 0 HA SER A 85 8.848 7.396 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.259 8.851 -4.911 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.425 8.827 -3.603 1.00 0.00 H new ATOM 0 HG SER A 85 11.303 8.439 -5.785 1.00 0.00 H new ATOM 1237 N ARG A 86 8.174 6.291 -5.761 1.00 0.00 N ATOM 1238 CA ARG A 86 7.084 5.925 -6.657 1.00 0.00 C ATOM 1239 C ARG A 86 6.707 4.457 -6.483 1.00 0.00 C ATOM 1240 O ARG A 86 7.570 3.579 -6.481 1.00 0.00 O ATOM 1241 CB ARG A 86 7.479 6.192 -8.111 1.00 0.00 C ATOM 1242 CG ARG A 86 6.326 6.052 -9.091 1.00 0.00 C ATOM 1243 CD ARG A 86 6.565 6.866 -10.353 1.00 0.00 C ATOM 1244 NE ARG A 86 5.341 7.048 -11.127 1.00 0.00 N ATOM 1245 CZ ARG A 86 5.268 7.795 -12.224 1.00 0.00 C ATOM 1246 NH1 ARG A 86 6.345 8.424 -12.673 1.00 0.00 N ATOM 1247 NH2 ARG A 86 4.118 7.912 -12.874 1.00 0.00 N ATOM 0 H ARG A 86 9.105 6.187 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 86 6.218 6.537 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.890 7.199 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.273 5.501 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.196 5.002 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.401 6.379 -8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.972 7.841 -10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.313 6.368 -10.970 1.00 0.00 H new ATOM 0 HE ARG A 86 4.495 6.576 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.232 8.335 -12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.287 8.997 -13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.288 7.428 -12.532 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.064 8.486 -13.716 1.00 0.00 H new ATOM 1261 N VAL A 87 5.411 4.198 -6.336 1.00 0.00 N ATOM 1262 CA VAL A 87 4.919 2.836 -6.162 1.00 0.00 C ATOM 1263 C VAL A 87 3.620 2.619 -6.929 1.00 0.00 C ATOM 1264 O VAL A 87 2.715 3.453 -6.889 1.00 0.00 O ATOM 1265 CB VAL A 87 4.685 2.511 -4.675 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.079 1.124 -4.521 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.986 2.623 -3.894 1.00 0.00 C ATOM 0 H VAL A 87 4.683 4.913 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 87 5.686 2.169 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 87 3.980 3.237 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.921 0.911 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.125 1.084 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.757 0.382 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.802 2.390 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.715 1.921 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.374 3.638 -3.977 1.00 0.00 H new ATOM 1277 N LYS A 88 3.533 1.493 -7.628 1.00 0.00 N ATOM 1278 CA LYS A 88 2.343 1.163 -8.404 1.00 0.00 C ATOM 1279 C LYS A 88 1.472 0.155 -7.662 1.00 0.00 C ATOM 1280 O LYS A 88 1.956 -0.879 -7.200 1.00 0.00 O ATOM 1281 CB LYS A 88 2.741 0.601 -9.771 1.00 0.00 C ATOM 1282 CG LYS A 88 1.573 0.030 -10.557 1.00 0.00 C ATOM 1283 CD LYS A 88 2.041 -0.672 -11.820 1.00 0.00 C ATOM 1284 CE LYS A 88 1.054 -1.741 -12.262 1.00 0.00 C ATOM 1285 NZ LYS A 88 1.061 -1.926 -13.740 1.00 0.00 N ATOM 0 H LYS A 88 4.273 0.793 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 88 1.767 2.077 -8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.211 1.391 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.489 -0.179 -9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.022 -0.673 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.883 0.832 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.168 0.059 -12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.016 -1.126 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.300 -2.685 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.051 -1.467 -11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.375 -2.663 -14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.801 -1.032 -14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.012 -2.213 -14.049 1.00 0.00 H new ATOM 1299 N LEU A 89 0.184 0.462 -7.552 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.757 -0.419 -6.867 1.00 0.00 C ATOM 1301 C LEU A 89 -2.113 -0.415 -7.565 1.00 0.00 C ATOM 1302 O LEU A 89 -2.580 0.624 -8.030 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.919 0.012 -5.409 1.00 0.00 C ATOM 1304 CG LEU A 89 0.291 0.697 -4.772 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.154 1.680 -3.700 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.242 -0.337 -4.188 1.00 0.00 C ATOM 0 H LEU A 89 -0.233 1.314 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.357 -1.433 -6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.770 0.689 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.166 -0.869 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 89 0.820 1.252 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.721 2.157 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.795 2.440 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.707 1.148 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.097 0.168 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.723 -0.919 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.588 -1.002 -4.980 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.742 -1.584 -7.632 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.046 -1.715 -8.271 1.00 0.00 C ATOM 1320 C ASN A 90 -5.170 -1.547 -7.253 1.00 0.00 C ATOM 1321 O ASN A 90 -5.264 -2.303 -6.286 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.165 -3.076 -8.959 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.183 -3.069 -10.083 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.100 -2.109 -10.045 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.144 -3.915 -10.976 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.370 -2.454 -7.252 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.137 -0.928 -9.019 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.192 -3.366 -9.356 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.446 -3.829 -8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.421 -4.635 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.834 -3.896 -11.727 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.020 -0.551 -7.479 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.139 -0.284 -6.582 1.00 0.00 C ATOM 1334 C ILE A 91 -8.468 -0.634 -7.243 1.00 0.00 C ATOM 1335 O ILE A 91 -8.631 -0.481 -8.454 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.169 1.191 -6.143 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.815 1.601 -5.561 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.279 1.419 -5.128 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.449 0.854 -4.297 1.00 0.00 C ATOM 0 H ILE A 91 -5.956 0.084 -8.275 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.996 -0.913 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.370 1.811 -7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.041 1.433 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.828 2.670 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.287 2.467 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.239 1.162 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.107 0.792 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.477 1.196 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.203 1.042 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.403 -0.215 -4.506 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.417 -1.102 -6.439 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.734 -1.470 -6.945 1.00 0.00 C ATOM 1353 C VAL A 92 -11.822 -1.162 -5.922 1.00 0.00 C ATOM 1354 O VAL A 92 -11.938 -1.840 -4.901 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.797 -2.965 -7.311 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.205 -3.352 -7.736 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.793 -3.288 -8.407 1.00 0.00 C ATOM 0 H VAL A 92 -9.299 -1.235 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.905 -0.876 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.537 -3.548 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.230 -4.412 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.898 -3.159 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.498 -2.763 -8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.851 -4.348 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.020 -2.697 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.787 -3.051 -8.060 1.00 0.00 H new ATOM 1367 N SER A 93 -12.618 -0.135 -6.203 1.00 0.00 N ATOM 1368 CA SER A 93 -13.695 0.265 -5.305 1.00 0.00 C ATOM 1369 C SER A 93 -14.316 -0.951 -4.625 1.00 0.00 C ATOM 1370 O SER A 93 -14.894 -1.816 -5.282 1.00 0.00 O ATOM 1371 CB SER A 93 -14.768 1.037 -6.075 1.00 0.00 C ATOM 1372 OG SER A 93 -15.987 1.072 -5.353 1.00 0.00 O ATOM 0 H SER A 93 -12.537 0.435 -7.045 1.00 0.00 H new ATOM 0 HA SER A 93 -13.273 0.912 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.424 2.054 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.930 0.570 -7.046 1.00 0.00 H new ATOM 0 HG SER A 93 -16.656 1.572 -5.865 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.191 -1.011 -3.303 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.744 -2.125 -2.555 1.00 0.00 C ATOM 1380 C GLY A 94 -16.228 -2.310 -2.804 1.00 0.00 C ATOM 1381 O GLY A 94 -16.785 -1.797 -3.774 1.00 0.00 O ATOM 0 H GLY A 94 -13.717 -0.308 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.216 -3.039 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.575 -1.964 -1.490 1.00 0.00 H new