USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 769 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 25 ASN : amide:sc= -1.25 K(o=-1.3,f=-5.2!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 158:sc=4.96e-06 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 114:sc= -0.512 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 1 MET CE :methyl 175:sc= -0.938 (180deg=-0.991) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 2 GLN : amide:sc=-0.00805 X(o=-0.0081,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 150:sc= -0.895 USER MOD Single : A 14 THR OG1 : rot -47:sc= 1.01 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0818 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= -2.91 (180deg=-4.75!) USER MOD Single : A 31 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.045) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.168 (180deg=-0.616) USER MOD Single : A 40 GLN : amide:sc= -0.701 K(o=-0.7,f=-2!) USER MOD Single : A 41 GLN : amide:sc= -6.15! C(o=-6.1!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.742 F(o=-2.5,f=-0.74) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00204 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -1 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0146 K(o=-0.015,f=-0.69) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -90:sc= -1.8 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 68 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.0853 X(o=-0.085,f=-0.085) USER MOD Single : B 29 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.77) USER MOD Single : B 33 SER OG : rot 180:sc= 0.0632 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0.0097) USER MOD Single : B 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 22 -0.026 -1.405 -15.366 1.00 0.00 N ATOM 2 CA ASP B 22 1.206 -1.304 -14.592 1.00 0.00 C ATOM 3 C ASP B 22 1.640 0.150 -14.449 1.00 0.00 C ATOM 4 O ASP B 22 2.833 0.457 -14.461 1.00 0.00 O ATOM 5 CB ASP B 22 2.318 -2.119 -15.254 1.00 0.00 C ATOM 6 CG ASP B 22 1.980 -3.594 -15.343 1.00 0.00 C ATOM 7 OD1 ASP B 22 1.194 -3.970 -16.238 1.00 0.00 O1- ATOM 8 OD2 ASP B 22 2.501 -4.373 -14.518 1.00 0.00 O ATOM 0 HA ASP B 22 1.015 -1.706 -13.597 1.00 0.00 H new ATOM 0 HB2 ASP B 22 2.502 -1.730 -16.256 1.00 0.00 H new ATOM 0 HB3 ASP B 22 3.242 -1.994 -14.689 1.00 0.00 H new ATOM 13 N THR B 23 0.666 1.044 -14.314 1.00 0.00 N ATOM 14 CA THR B 23 0.948 2.467 -14.169 1.00 0.00 C ATOM 15 C THR B 23 0.641 2.942 -12.752 1.00 0.00 C ATOM 16 O THR B 23 0.263 4.095 -12.541 1.00 0.00 O ATOM 17 CB THR B 23 0.130 3.276 -15.178 1.00 0.00 C ATOM 18 OG1 THR B 23 -1.244 2.944 -15.091 1.00 0.00 O ATOM 19 CG2 THR B 23 0.565 3.060 -16.611 1.00 0.00 C ATOM 0 H THR B 23 -0.326 0.808 -14.302 1.00 0.00 H new ATOM 0 HA THR B 23 2.009 2.622 -14.363 1.00 0.00 H new ATOM 0 HB THR B 23 0.301 4.320 -14.917 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.750 3.473 -15.743 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.055 3.663 -17.274 1.00 0.00 H new ATOM 0 HG22 THR B 23 1.608 3.355 -16.723 1.00 0.00 H new ATOM 0 HG23 THR B 23 0.456 2.007 -16.870 1.00 0.00 H new ATOM 27 N GLN B 24 0.804 2.046 -11.784 1.00 0.00 N ATOM 28 CA GLN B 24 0.545 2.374 -10.387 1.00 0.00 C ATOM 29 C GLN B 24 1.615 3.314 -9.841 1.00 0.00 C ATOM 30 O GLN B 24 1.314 4.253 -9.104 1.00 0.00 O ATOM 31 CB GLN B 24 0.491 1.099 -9.543 1.00 0.00 C ATOM 32 CG GLN B 24 -0.895 0.476 -9.471 1.00 0.00 C ATOM 33 CD GLN B 24 -1.399 0.019 -10.826 1.00 0.00 C ATOM 34 OE1 GLN B 24 -0.951 -0.996 -11.359 1.00 0.00 O ATOM 35 NE2 GLN B 24 -2.337 0.770 -11.392 1.00 0.00 N ATOM 0 H GLN B 24 1.114 1.087 -11.941 1.00 0.00 H new ATOM 0 HA GLN B 24 -0.419 2.879 -10.332 1.00 0.00 H new ATOM 0 HB2 GLN B 24 1.187 0.369 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN B 24 0.831 1.327 -8.533 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -0.872 -0.375 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -1.594 1.200 -9.053 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -2.680 1.604 -10.915 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.714 0.513 -12.304 1.00 0.00 H new ATOM 44 N ASP B 25 2.865 3.053 -10.207 1.00 0.00 N ATOM 45 CA ASP B 25 3.983 3.874 -9.754 1.00 0.00 C ATOM 46 C ASP B 25 4.246 5.026 -10.721 1.00 0.00 C ATOM 47 O ASP B 25 4.861 6.028 -10.353 1.00 0.00 O ATOM 48 CB ASP B 25 5.242 3.020 -9.606 1.00 0.00 C ATOM 49 CG ASP B 25 5.001 1.771 -8.780 1.00 0.00 C ATOM 50 OD1 ASP B 25 4.329 1.874 -7.733 1.00 0.00 O ATOM 51 OD2 ASP B 25 5.483 0.691 -9.182 1.00 0.00 O1- ATOM 0 H ASP B 25 3.130 2.279 -10.816 1.00 0.00 H new ATOM 0 HA ASP B 25 3.720 4.294 -8.783 1.00 0.00 H new ATOM 0 HB2 ASP B 25 5.602 2.734 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.028 3.614 -9.140 1.00 0.00 H new ATOM 56 N ASP B 26 3.781 4.878 -11.959 1.00 0.00 N ATOM 57 CA ASP B 26 3.970 5.907 -12.977 1.00 0.00 C ATOM 58 C ASP B 26 3.447 7.258 -12.498 1.00 0.00 C ATOM 59 O ASP B 26 4.182 8.246 -12.472 1.00 0.00 O ATOM 60 CB ASP B 26 3.264 5.506 -14.274 1.00 0.00 C ATOM 61 CG ASP B 26 3.665 6.382 -15.445 1.00 0.00 C ATOM 62 OD1 ASP B 26 3.596 7.621 -15.309 1.00 0.00 O ATOM 63 OD2 ASP B 26 4.047 5.828 -16.496 1.00 0.00 O1- ATOM 0 H ASP B 26 3.271 4.056 -12.281 1.00 0.00 H new ATOM 0 HA ASP B 26 5.040 6.000 -13.165 1.00 0.00 H new ATOM 0 HB2 ASP B 26 3.497 4.467 -14.505 1.00 0.00 H new ATOM 0 HB3 ASP B 26 2.185 5.567 -14.131 1.00 0.00 H new ATOM 68 N PHE B 27 2.174 7.296 -12.119 1.00 0.00 N ATOM 69 CA PHE B 27 1.556 8.529 -11.643 1.00 0.00 C ATOM 70 C PHE B 27 2.060 8.889 -10.249 1.00 0.00 C ATOM 71 O PHE B 27 2.145 10.064 -9.895 1.00 0.00 O ATOM 72 CB PHE B 27 0.032 8.389 -11.627 1.00 0.00 C ATOM 73 CG PHE B 27 -0.467 7.324 -10.691 1.00 0.00 C ATOM 74 CD1 PHE B 27 -0.430 7.514 -9.319 1.00 0.00 C ATOM 75 CD2 PHE B 27 -0.972 6.132 -11.184 1.00 0.00 C ATOM 76 CE1 PHE B 27 -0.888 6.537 -8.457 1.00 0.00 C ATOM 77 CE2 PHE B 27 -1.432 5.150 -10.328 1.00 0.00 C ATOM 78 CZ PHE B 27 -1.390 5.353 -8.962 1.00 0.00 C ATOM 0 H PHE B 27 1.551 6.489 -12.132 1.00 0.00 H new ATOM 0 HA PHE B 27 1.833 9.331 -12.328 1.00 0.00 H new ATOM 0 HB2 PHE B 27 -0.409 9.345 -11.344 1.00 0.00 H new ATOM 0 HB3 PHE B 27 -0.314 8.165 -12.636 1.00 0.00 H new ATOM 0 HD1 PHE B 27 -0.038 8.437 -8.919 1.00 0.00 H new ATOM 0 HD2 PHE B 27 -1.007 5.968 -12.251 1.00 0.00 H new ATOM 0 HE1 PHE B 27 -0.854 6.698 -7.390 1.00 0.00 H new ATOM 0 HE2 PHE B 27 -1.824 4.225 -10.726 1.00 0.00 H new ATOM 0 HZ PHE B 27 -1.749 4.587 -8.290 1.00 0.00 H new ATOM 88 N LEU B 28 2.393 7.870 -9.463 1.00 0.00 N ATOM 89 CA LEU B 28 2.888 8.084 -8.108 1.00 0.00 C ATOM 90 C LEU B 28 4.244 8.782 -8.129 1.00 0.00 C ATOM 91 O LEU B 28 4.540 9.611 -7.268 1.00 0.00 O ATOM 92 CB LEU B 28 2.997 6.752 -7.363 1.00 0.00 C ATOM 93 CG LEU B 28 3.199 6.871 -5.852 1.00 0.00 C ATOM 94 CD1 LEU B 28 2.145 7.784 -5.241 1.00 0.00 C ATOM 95 CD2 LEU B 28 3.157 5.497 -5.201 1.00 0.00 C ATOM 0 H LEU B 28 2.329 6.890 -9.740 1.00 0.00 H new ATOM 0 HA LEU B 28 2.177 8.725 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.092 6.174 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.829 6.186 -7.782 1.00 0.00 H new ATOM 0 HG LEU B 28 4.180 7.310 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU B 28 2.305 7.856 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU B 28 2.221 8.776 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.153 7.375 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.302 5.599 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU B 28 2.190 5.032 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU B 28 3.948 4.873 -5.616 1.00 0.00 H new ATOM 107 N LYS B 29 5.065 8.443 -9.119 1.00 0.00 N ATOM 108 CA LYS B 29 6.390 9.042 -9.252 1.00 0.00 C ATOM 109 C LYS B 29 6.289 10.561 -9.342 1.00 0.00 C ATOM 110 O LYS B 29 7.179 11.281 -8.889 1.00 0.00 O ATOM 111 CB LYS B 29 7.101 8.487 -10.490 1.00 0.00 C ATOM 112 CG LYS B 29 8.305 7.621 -10.162 1.00 0.00 C ATOM 113 CD LYS B 29 7.886 6.229 -9.715 1.00 0.00 C ATOM 114 CE LYS B 29 7.982 5.226 -10.853 1.00 0.00 C ATOM 115 NZ LYS B 29 8.461 3.897 -10.383 1.00 0.00 N1+ ATOM 0 H LYS B 29 4.837 7.758 -9.840 1.00 0.00 H new ATOM 0 HA LYS B 29 6.972 8.787 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.391 7.902 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS B 29 7.422 9.318 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS B 29 8.949 7.544 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS B 29 8.892 8.095 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS B 29 8.519 5.905 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.863 6.259 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.004 5.114 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS B 29 8.660 5.607 -11.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.058 3.150 -10.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 9.499 3.863 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.162 3.748 -9.398 1.00 0.00 H new ATOM 129 N TRP B 30 5.196 11.041 -9.925 1.00 0.00 N ATOM 130 CA TRP B 30 4.971 12.474 -10.073 1.00 0.00 C ATOM 131 C TRP B 30 4.654 13.109 -8.721 1.00 0.00 C ATOM 132 O TRP B 30 5.009 14.260 -8.466 1.00 0.00 O ATOM 133 CB TRP B 30 3.827 12.725 -11.064 1.00 0.00 C ATOM 134 CG TRP B 30 3.267 14.116 -11.005 1.00 0.00 C ATOM 135 CD1 TRP B 30 3.535 15.147 -11.859 1.00 0.00 C ATOM 136 CD2 TRP B 30 2.343 14.623 -10.037 1.00 0.00 C ATOM 137 NE1 TRP B 30 2.833 16.266 -11.480 1.00 0.00 N ATOM 138 CE2 TRP B 30 2.093 15.969 -10.364 1.00 0.00 C ATOM 139 CE3 TRP B 30 1.702 14.070 -8.925 1.00 0.00 C ATOM 140 CZ2 TRP B 30 1.229 16.769 -9.619 1.00 0.00 C ATOM 141 CZ3 TRP B 30 0.845 14.864 -8.187 1.00 0.00 C ATOM 142 CH2 TRP B 30 0.616 16.201 -8.536 1.00 0.00 C ATOM 0 H TRP B 30 4.450 10.457 -10.304 1.00 0.00 H new ATOM 0 HA TRP B 30 5.880 12.933 -10.461 1.00 0.00 H new ATOM 0 HB2 TRP B 30 4.186 12.531 -12.075 1.00 0.00 H new ATOM 0 HB3 TRP B 30 3.026 12.012 -10.867 1.00 0.00 H new ATOM 0 HD1 TRP B 30 4.201 15.091 -12.708 1.00 0.00 H new ATOM 0 HE1 TRP B 30 2.858 17.170 -11.952 1.00 0.00 H new ATOM 0 HE3 TRP B 30 1.873 13.040 -8.647 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 1.050 17.800 -9.887 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 0.343 14.447 -7.327 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -0.058 16.796 -7.938 1.00 0.00 H new ATOM 153 N TRP B 31 3.985 12.351 -7.858 1.00 0.00 N ATOM 154 CA TRP B 31 3.620 12.840 -6.533 1.00 0.00 C ATOM 155 C TRP B 31 4.847 12.938 -5.631 1.00 0.00 C ATOM 156 O TRP B 31 4.890 13.757 -4.714 1.00 0.00 O ATOM 157 CB TRP B 31 2.575 11.920 -5.897 1.00 0.00 C ATOM 158 CG TRP B 31 1.497 12.660 -5.168 1.00 0.00 C ATOM 159 CD1 TRP B 31 1.662 13.685 -4.281 1.00 0.00 C ATOM 160 CD2 TRP B 31 0.086 12.434 -5.263 1.00 0.00 C ATOM 161 NE1 TRP B 31 0.440 14.109 -3.818 1.00 0.00 N ATOM 162 CE2 TRP B 31 -0.544 13.357 -4.406 1.00 0.00 C ATOM 163 CE3 TRP B 31 -0.707 11.541 -5.989 1.00 0.00 C ATOM 164 CZ2 TRP B 31 -1.927 13.412 -4.257 1.00 0.00 C ATOM 165 CZ3 TRP B 31 -2.081 11.595 -5.840 1.00 0.00 C ATOM 166 CH2 TRP B 31 -2.678 12.525 -4.980 1.00 0.00 C ATOM 0 H TRP B 31 3.685 11.396 -8.052 1.00 0.00 H new ATOM 0 HA TRP B 31 3.195 13.837 -6.645 1.00 0.00 H new ATOM 0 HB2 TRP B 31 2.122 11.305 -6.675 1.00 0.00 H new ATOM 0 HB3 TRP B 31 3.073 11.242 -5.204 1.00 0.00 H new ATOM 0 HD1 TRP B 31 2.614 14.101 -3.986 1.00 0.00 H new ATOM 0 HE1 TRP B 31 0.289 14.861 -3.146 1.00 0.00 H new ATOM 0 HE3 TRP B 31 -0.255 10.821 -6.655 1.00 0.00 H new ATOM 0 HZ2 TRP B 31 -2.391 14.128 -3.595 1.00 0.00 H new ATOM 0 HZ3 TRP B 31 -2.703 10.909 -6.396 1.00 0.00 H new ATOM 0 HH2 TRP B 31 -3.754 12.543 -4.885 1.00 0.00 H new ATOM 177 N ARG B 32 5.842 12.097 -5.896 1.00 0.00 N ATOM 178 CA ARG B 32 7.069 12.089 -5.107 1.00 0.00 C ATOM 179 C ARG B 32 7.734 13.462 -5.119 1.00 0.00 C ATOM 180 O ARG B 32 7.894 14.094 -4.075 1.00 0.00 O ATOM 181 CB ARG B 32 8.039 11.036 -5.645 1.00 0.00 C ATOM 182 CG ARG B 32 9.278 10.855 -4.783 1.00 0.00 C ATOM 183 CD ARG B 32 10.509 10.574 -5.631 1.00 0.00 C ATOM 184 NE ARG B 32 10.764 9.142 -5.768 1.00 0.00 N ATOM 185 CZ ARG B 32 11.936 8.629 -6.136 1.00 0.00 C ATOM 186 NH1 ARG B 32 12.963 9.427 -6.404 1.00 0.00 N1+ ATOM 187 NH2 ARG B 32 12.082 7.315 -6.236 1.00 0.00 N ATOM 0 H ARG B 32 5.822 11.412 -6.651 1.00 0.00 H new ATOM 0 HA ARG B 32 6.807 11.841 -4.078 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.519 10.081 -5.724 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.345 11.317 -6.653 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.442 11.753 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.120 10.033 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG B 32 10.377 11.015 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG B 32 11.377 11.055 -5.181 1.00 0.00 H new ATOM 0 HE ARG B 32 9.999 8.497 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG B 32 12.856 10.439 -6.328 1.00 0.00 H new ATOM 0 HH12 ARG B 32 13.859 9.028 -6.686 1.00 0.00 H new ATOM 0 HH21 ARG B 32 11.296 6.698 -6.031 1.00 0.00 H new ATOM 0 HH22 ARG B 32 12.980 6.922 -6.518 1.00 0.00 H new ATOM 201 N SER B 33 8.120 13.918 -6.306 1.00 0.00 N ATOM 202 CA SER B 33 8.768 15.216 -6.453 1.00 0.00 C ATOM 203 C SER B 33 7.782 16.349 -6.188 1.00 0.00 C ATOM 204 O SER B 33 8.156 17.401 -5.669 1.00 0.00 O ATOM 205 CB SER B 33 9.363 15.358 -7.854 1.00 0.00 C ATOM 206 OG SER B 33 8.634 14.594 -8.799 1.00 0.00 O ATOM 0 H SER B 33 7.995 13.408 -7.180 1.00 0.00 H new ATOM 0 HA SER B 33 9.571 15.278 -5.718 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.359 16.407 -8.149 1.00 0.00 H new ATOM 0 HB3 SER B 33 10.404 15.034 -7.845 1.00 0.00 H new ATOM 0 HG SER B 33 9.034 14.704 -9.687 1.00 0.00 H new ATOM 212 N GLU B 34 6.521 16.127 -6.547 1.00 0.00 N ATOM 213 CA GLU B 34 5.482 17.130 -6.345 1.00 0.00 C ATOM 214 C GLU B 34 5.366 17.503 -4.872 1.00 0.00 C ATOM 215 O GLU B 34 5.052 18.643 -4.532 1.00 0.00 O ATOM 216 CB GLU B 34 4.138 16.612 -6.861 1.00 0.00 C ATOM 217 CG GLU B 34 3.000 17.607 -6.698 1.00 0.00 C ATOM 218 CD GLU B 34 2.057 17.237 -5.571 1.00 0.00 C ATOM 219 OE1 GLU B 34 2.326 17.633 -4.417 1.00 0.00 O ATOM 220 OE2 GLU B 34 1.048 16.551 -5.842 1.00 0.00 O1- ATOM 0 H GLU B 34 6.195 15.262 -6.979 1.00 0.00 H new ATOM 0 HA GLU B 34 5.758 18.023 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU B 34 4.237 16.356 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.885 15.693 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.413 18.598 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU B 34 2.439 17.667 -7.631 1.00 0.00 H new ATOM 227 N GLU B 35 5.624 16.533 -4.000 1.00 0.00 N ATOM 228 CA GLU B 35 5.552 16.759 -2.562 1.00 0.00 C ATOM 229 C GLU B 35 6.868 17.323 -2.034 1.00 0.00 C ATOM 230 O GLU B 35 6.887 18.066 -1.053 1.00 0.00 O ATOM 231 CB GLU B 35 5.213 15.452 -1.837 1.00 0.00 C ATOM 232 CG GLU B 35 4.067 15.586 -0.848 1.00 0.00 C ATOM 233 CD GLU B 35 2.820 16.178 -1.475 1.00 0.00 C ATOM 234 OE1 GLU B 35 1.991 15.402 -1.996 1.00 0.00 O1- ATOM 235 OE2 GLU B 35 2.672 17.418 -1.447 1.00 0.00 O ATOM 0 H GLU B 35 5.885 15.583 -4.265 1.00 0.00 H new ATOM 0 HA GLU B 35 4.764 17.487 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU B 35 4.958 14.692 -2.575 1.00 0.00 H new ATOM 0 HB3 GLU B 35 6.099 15.099 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU B 35 3.831 14.605 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.383 16.214 -0.015 1.00 0.00 H new ATOM 242 N ALA B 36 7.966 16.966 -2.694 1.00 0.00 N ATOM 243 CA ALA B 36 9.285 17.437 -2.293 1.00 0.00 C ATOM 244 C ALA B 36 9.607 18.783 -2.934 1.00 0.00 C ATOM 245 O ALA B 36 10.361 18.855 -3.905 1.00 0.00 O ATOM 246 CB ALA B 36 10.345 16.409 -2.658 1.00 0.00 C ATOM 0 H ALA B 36 7.967 16.352 -3.509 1.00 0.00 H new ATOM 0 HA ALA B 36 9.282 17.572 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA B 36 11.326 16.774 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.132 15.470 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA B 36 10.338 16.246 -3.736 1.00 0.00 H new ATOM 252 N GLN B 37 9.030 19.848 -2.387 1.00 0.00 N ATOM 253 CA GLN B 37 9.255 21.191 -2.905 1.00 0.00 C ATOM 254 C GLN B 37 10.188 21.979 -1.992 1.00 0.00 C ATOM 255 O GLN B 37 10.215 21.760 -0.780 1.00 0.00 O ATOM 256 CB GLN B 37 7.925 21.932 -3.056 1.00 0.00 C ATOM 257 CG GLN B 37 6.918 21.203 -3.930 1.00 0.00 C ATOM 258 CD GLN B 37 5.599 21.942 -4.040 1.00 0.00 C ATOM 259 OE1 GLN B 37 4.555 21.438 -3.624 1.00 0.00 O ATOM 260 NE2 GLN B 37 5.639 23.144 -4.603 1.00 0.00 N ATOM 0 H GLN B 37 8.402 19.806 -1.584 1.00 0.00 H new ATOM 0 HA GLN B 37 9.726 21.100 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN B 37 7.491 22.087 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN B 37 8.114 22.918 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN B 37 7.338 21.067 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN B 37 6.740 20.208 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN B 37 6.526 23.523 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.782 23.688 -4.705 1.00 0.00 H new ATOM 269 N ASP B 38 10.951 22.893 -2.580 1.00 0.00 N ATOM 270 CA ASP B 38 11.887 23.712 -1.817 1.00 0.00 C ATOM 271 C ASP B 38 12.109 25.060 -2.498 1.00 0.00 C ATOM 272 O ASP B 38 11.815 26.110 -1.927 1.00 0.00 O ATOM 273 CB ASP B 38 13.222 22.984 -1.657 1.00 0.00 C ATOM 274 CG ASP B 38 13.119 21.786 -0.734 1.00 0.00 C ATOM 275 OD1 ASP B 38 12.448 21.899 0.314 1.00 0.00 O1- ATOM 276 OD2 ASP B 38 13.709 20.734 -1.057 1.00 0.00 O ATOM 0 H ASP B 38 10.940 23.086 -3.582 1.00 0.00 H new ATOM 0 HA ASP B 38 11.457 23.888 -0.831 1.00 0.00 H new ATOM 0 HB2 ASP B 38 13.574 22.656 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP B 38 13.967 23.678 -1.266 1.00 0.00 H new ATOM 281 N MET B 39 12.630 25.022 -3.719 1.00 0.00 N ATOM 282 CA MET B 39 12.892 26.240 -4.477 1.00 0.00 C ATOM 283 C MET B 39 11.990 26.322 -5.705 1.00 0.00 C ATOM 284 O MET B 39 11.480 27.391 -6.042 1.00 0.00 O ATOM 285 CB MET B 39 14.360 26.294 -4.905 1.00 0.00 C ATOM 286 CG MET B 39 14.832 25.038 -5.620 1.00 0.00 C ATOM 287 SD MET B 39 16.486 25.215 -6.315 1.00 0.00 S ATOM 288 CE MET B 39 17.404 24.058 -5.302 1.00 0.00 C ATOM 0 H MET B 39 12.879 24.161 -4.205 1.00 0.00 H new ATOM 0 HA MET B 39 12.677 27.092 -3.832 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.507 27.152 -5.561 1.00 0.00 H new ATOM 0 HB3 MET B 39 14.981 26.456 -4.024 1.00 0.00 H new ATOM 0 HG2 MET B 39 14.823 24.202 -4.921 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.131 24.794 -6.418 1.00 0.00 H new ATOM 0 HE1 MET B 39 18.449 24.053 -5.611 1.00 0.00 H new ATOM 0 HE2 MET B 39 17.336 24.357 -4.256 1.00 0.00 H new ATOM 0 HE3 MET B 39 16.986 23.059 -5.421 1.00 0.00 H new ATOM 298 N GLY B 40 11.797 25.187 -6.369 1.00 0.00 N ATOM 299 CA GLY B 40 10.957 25.153 -7.551 1.00 0.00 C ATOM 300 C GLY B 40 11.717 25.508 -8.814 1.00 0.00 C ATOM 301 O GLY B 40 11.694 24.702 -9.766 1.00 0.00 O ATOM 302 OXT GLY B 40 12.333 26.594 -8.850 1.00 0.00 O ATOM 0 H GLY B 40 12.208 24.290 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY B 40 10.526 24.158 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY B 40 10.127 25.848 -7.423 1.00 0.00 H new TER 306 GLY B 40 ATOM 307 N MET A 1 -6.027 -9.858 8.384 1.00 0.00 N ATOM 308 CA MET A 1 -5.615 -9.187 7.122 1.00 0.00 C ATOM 309 C MET A 1 -4.487 -8.191 7.372 1.00 0.00 C ATOM 310 O MET A 1 -4.726 -7.055 7.778 1.00 0.00 O ATOM 311 CB MET A 1 -6.832 -8.471 6.533 1.00 0.00 C ATOM 312 CG MET A 1 -6.539 -7.746 5.231 1.00 0.00 C ATOM 313 SD MET A 1 -8.005 -6.977 4.520 1.00 0.00 S ATOM 314 CE MET A 1 -7.311 -5.446 3.906 1.00 0.00 C ATOM 0 H1 MET A 1 -6.684 -10.634 8.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.187 -10.240 8.864 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.498 -9.170 9.005 1.00 0.00 H new ATOM 0 HA MET A 1 -5.243 -9.935 6.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.625 -9.200 6.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.209 -7.754 7.262 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.782 -6.982 5.408 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.119 -8.451 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.075 -4.894 3.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.960 -4.844 4.744 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.475 -5.666 3.242 1.00 0.00 H new ATOM 326 N GLN A 2 -3.256 -8.625 7.122 1.00 0.00 N ATOM 327 CA GLN A 2 -2.089 -7.773 7.318 1.00 0.00 C ATOM 328 C GLN A 2 -1.556 -7.266 5.983 1.00 0.00 C ATOM 329 O GLN A 2 -0.935 -8.014 5.228 1.00 0.00 O ATOM 330 CB GLN A 2 -0.992 -8.536 8.063 1.00 0.00 C ATOM 331 CG GLN A 2 -1.061 -8.380 9.574 1.00 0.00 C ATOM 332 CD GLN A 2 -1.284 -9.699 10.288 1.00 0.00 C ATOM 333 OE1 GLN A 2 -0.458 -10.130 11.093 1.00 0.00 O ATOM 334 NE2 GLN A 2 -2.405 -10.348 9.996 1.00 0.00 N ATOM 0 H GLN A 2 -3.041 -9.563 6.783 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.394 -6.915 7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.062 -9.594 7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.019 -8.190 7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.135 -7.930 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.868 -7.693 9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.062 -9.954 9.323 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.609 -11.241 10.445 1.00 0.00 H new ATOM 343 N ILE A 3 -1.802 -5.992 5.696 1.00 0.00 N ATOM 344 CA ILE A 3 -1.346 -5.386 4.451 1.00 0.00 C ATOM 345 C ILE A 3 -0.043 -4.623 4.660 1.00 0.00 C ATOM 346 O ILE A 3 0.405 -4.443 5.792 1.00 0.00 O ATOM 347 CB ILE A 3 -2.402 -4.427 3.871 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.895 -3.461 4.950 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.564 -5.212 3.282 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.495 -2.193 4.399 1.00 0.00 C ATOM 0 H ILE A 3 -2.315 -5.359 6.310 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.181 -6.199 3.745 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.942 -3.844 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.639 -3.967 5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.061 -3.204 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.302 -4.520 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.198 -5.861 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.025 -5.819 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.822 -1.558 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.748 -1.664 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.350 -2.439 3.769 1.00 0.00 H new ATOM 362 N PHE A 4 0.564 -4.177 3.565 1.00 0.00 N ATOM 363 CA PHE A 4 1.815 -3.433 3.642 1.00 0.00 C ATOM 364 C PHE A 4 1.662 -2.040 3.042 1.00 0.00 C ATOM 365 O PHE A 4 1.565 -1.880 1.826 1.00 0.00 O ATOM 366 CB PHE A 4 2.938 -4.199 2.933 1.00 0.00 C ATOM 367 CG PHE A 4 3.971 -4.730 3.882 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.642 -3.872 4.736 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.259 -6.084 3.937 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.582 -4.350 5.629 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.201 -6.571 4.824 1.00 0.00 C ATOM 372 CZ PHE A 4 5.863 -5.701 5.673 1.00 0.00 C ATOM 0 H PHE A 4 0.212 -4.317 2.618 1.00 0.00 H new ATOM 0 HA PHE A 4 2.077 -3.322 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.507 -5.028 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.420 -3.541 2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.428 -2.814 4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.742 -6.767 3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.096 -3.668 6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.420 -7.628 4.854 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.598 -6.078 6.369 1.00 0.00 H new ATOM 382 N VAL A 5 1.642 -1.031 3.908 1.00 0.00 N ATOM 383 CA VAL A 5 1.502 0.350 3.468 1.00 0.00 C ATOM 384 C VAL A 5 2.846 0.921 3.031 1.00 0.00 C ATOM 385 O VAL A 5 3.709 1.210 3.861 1.00 0.00 O ATOM 386 CB VAL A 5 0.917 1.240 4.584 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.620 2.635 4.054 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.336 0.606 5.171 1.00 0.00 C ATOM 0 H VAL A 5 1.721 -1.146 4.918 1.00 0.00 H new ATOM 0 HA VAL A 5 0.816 0.346 2.621 1.00 0.00 H new ATOM 0 HB VAL A 5 1.658 1.329 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.208 3.249 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.541 3.088 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.102 2.569 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.735 1.248 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.084 0.485 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.088 -0.369 5.590 1.00 0.00 H new ATOM 398 N LYS A 6 3.016 1.078 1.721 1.00 0.00 N ATOM 399 CA LYS A 6 4.255 1.613 1.168 1.00 0.00 C ATOM 400 C LYS A 6 4.136 3.112 0.915 1.00 0.00 C ATOM 401 O LYS A 6 3.190 3.568 0.271 1.00 0.00 O ATOM 402 CB LYS A 6 4.610 0.892 -0.134 1.00 0.00 C ATOM 403 CG LYS A 6 6.093 0.928 -0.466 1.00 0.00 C ATOM 404 CD LYS A 6 6.475 -0.184 -1.428 1.00 0.00 C ATOM 405 CE LYS A 6 7.975 -0.218 -1.672 1.00 0.00 C ATOM 406 NZ LYS A 6 8.301 -0.570 -3.082 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.311 0.842 1.023 1.00 0.00 H new ATOM 0 HA LYS A 6 5.049 1.447 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.287 -0.147 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.052 1.344 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.345 1.893 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.675 0.833 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.149 -1.143 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.954 -0.042 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.404 0.755 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.436 -0.943 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.333 -0.582 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.914 -1.510 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.883 0.136 -3.721 1.00 0.00 H new ATOM 420 N THR A 7 5.098 3.873 1.423 1.00 0.00 N ATOM 421 CA THR A 7 5.099 5.321 1.251 1.00 0.00 C ATOM 422 C THR A 7 5.901 5.722 0.017 1.00 0.00 C ATOM 423 O THR A 7 6.598 4.899 -0.577 1.00 0.00 O ATOM 424 CB THR A 7 5.677 6.003 2.491 1.00 0.00 C ATOM 425 OG1 THR A 7 7.070 5.764 2.593 1.00 0.00 O ATOM 426 CG2 THR A 7 5.036 5.540 3.782 1.00 0.00 C ATOM 0 H THR A 7 5.888 3.511 1.958 1.00 0.00 H new ATOM 0 HA THR A 7 4.067 5.645 1.114 1.00 0.00 H new ATOM 0 HB THR A 7 5.468 7.065 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.556 6.608 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.492 6.063 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.968 5.757 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.186 4.467 3.898 1.00 0.00 H new ATOM 434 N LEU A 8 5.795 6.991 -0.365 1.00 0.00 N ATOM 435 CA LEU A 8 6.511 7.502 -1.530 1.00 0.00 C ATOM 436 C LEU A 8 8.016 7.315 -1.370 1.00 0.00 C ATOM 437 O LEU A 8 8.696 6.858 -2.289 1.00 0.00 O ATOM 438 CB LEU A 8 6.188 8.981 -1.744 1.00 0.00 C ATOM 439 CG LEU A 8 4.929 9.254 -2.570 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.106 10.371 -1.952 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.293 9.623 -3.992 1.00 0.00 C ATOM 0 H LEU A 8 5.221 7.684 0.115 1.00 0.00 H new ATOM 0 HA LEU A 8 6.185 6.936 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.076 9.458 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.037 9.456 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 8 4.334 8.341 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.217 10.546 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.808 10.087 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.702 11.283 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.384 9.813 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.913 10.519 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.845 8.802 -4.451 1.00 0.00 H new ATOM 453 N THR A 9 8.529 7.671 -0.197 1.00 0.00 N ATOM 454 CA THR A 9 9.955 7.540 0.083 1.00 0.00 C ATOM 455 C THR A 9 10.405 6.090 -0.046 1.00 0.00 C ATOM 456 O THR A 9 11.555 5.813 -0.387 1.00 0.00 O ATOM 457 CB THR A 9 10.269 8.061 1.487 1.00 0.00 C ATOM 458 OG1 THR A 9 9.540 7.341 2.463 1.00 0.00 O ATOM 459 CG2 THR A 9 9.950 9.530 1.666 1.00 0.00 C ATOM 0 H THR A 9 7.980 8.052 0.574 1.00 0.00 H new ATOM 0 HA THR A 9 10.500 8.136 -0.649 1.00 0.00 H new ATOM 0 HB THR A 9 11.343 7.921 1.613 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.755 7.688 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.196 9.834 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.536 10.118 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.888 9.697 1.484 1.00 0.00 H new ATOM 467 N GLY A 10 9.490 5.164 0.229 1.00 0.00 N ATOM 468 CA GLY A 10 9.811 3.752 0.138 1.00 0.00 C ATOM 469 C GLY A 10 9.741 3.053 1.481 1.00 0.00 C ATOM 470 O GLY A 10 10.647 2.304 1.846 1.00 0.00 O ATOM 0 H GLY A 10 8.532 5.368 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.122 3.270 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.813 3.636 -0.276 1.00 0.00 H new ATOM 474 N LYS A 11 8.663 3.300 2.219 1.00 0.00 N ATOM 475 CA LYS A 11 8.480 2.688 3.531 1.00 0.00 C ATOM 476 C LYS A 11 7.248 1.789 3.545 1.00 0.00 C ATOM 477 O LYS A 11 6.118 2.267 3.641 1.00 0.00 O ATOM 478 CB LYS A 11 8.352 3.769 4.608 1.00 0.00 C ATOM 479 CG LYS A 11 8.064 3.216 5.998 1.00 0.00 C ATOM 480 CD LYS A 11 9.224 3.433 6.947 1.00 0.00 C ATOM 481 CE LYS A 11 9.763 2.118 7.487 1.00 0.00 C ATOM 482 NZ LYS A 11 10.878 1.590 6.654 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.904 3.918 1.932 1.00 0.00 H new ATOM 0 HA LYS A 11 9.356 2.075 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.275 4.348 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.554 4.457 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.172 3.695 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.849 2.150 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.021 3.968 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.902 4.063 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.111 2.261 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.958 1.384 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.217 0.693 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.540 1.429 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.657 2.279 6.639 1.00 0.00 H new ATOM 496 N THR A 12 7.478 0.483 3.458 1.00 0.00 N ATOM 497 CA THR A 12 6.391 -0.490 3.469 1.00 0.00 C ATOM 498 C THR A 12 6.282 -1.150 4.838 1.00 0.00 C ATOM 499 O THR A 12 7.135 -1.951 5.219 1.00 0.00 O ATOM 500 CB THR A 12 6.622 -1.552 2.393 1.00 0.00 C ATOM 501 OG1 THR A 12 7.473 -1.060 1.374 1.00 0.00 O ATOM 502 CG2 THR A 12 5.344 -2.023 1.734 1.00 0.00 C ATOM 0 H THR A 12 8.409 0.073 3.379 1.00 0.00 H new ATOM 0 HA THR A 12 5.458 0.031 3.257 1.00 0.00 H new ATOM 0 HB THR A 12 7.077 -2.394 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.985 -1.802 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.579 -2.775 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.685 -2.456 2.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.846 -1.177 1.259 1.00 0.00 H new ATOM 510 N ILE A 13 5.234 -0.806 5.581 1.00 0.00 N ATOM 511 CA ILE A 13 5.036 -1.369 6.914 1.00 0.00 C ATOM 512 C ILE A 13 3.823 -2.290 6.972 1.00 0.00 C ATOM 513 O ILE A 13 2.788 -2.016 6.362 1.00 0.00 O ATOM 514 CB ILE A 13 4.869 -0.270 7.977 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.128 0.569 8.081 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.561 -0.890 9.317 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.337 -0.238 8.449 1.00 0.00 C ATOM 0 H ILE A 13 4.514 -0.146 5.287 1.00 0.00 H new ATOM 0 HA ILE A 13 5.934 -1.948 7.128 1.00 0.00 H new ATOM 0 HB ILE A 13 4.042 0.374 7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.306 1.068 7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.978 1.350 8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.444 -0.104 10.063 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.638 -1.465 9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.378 -1.550 9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.207 0.416 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.175 -0.716 9.415 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.509 -1.002 7.691 1.00 0.00 H new ATOM 529 N THR A 14 3.959 -3.382 7.721 1.00 0.00 N ATOM 530 CA THR A 14 2.876 -4.343 7.876 1.00 0.00 C ATOM 531 C THR A 14 1.824 -3.799 8.832 1.00 0.00 C ATOM 532 O THR A 14 2.068 -3.664 10.031 1.00 0.00 O ATOM 533 CB THR A 14 3.414 -5.679 8.393 1.00 0.00 C ATOM 534 OG1 THR A 14 4.811 -5.774 8.187 1.00 0.00 O ATOM 535 CG2 THR A 14 2.768 -6.878 7.732 1.00 0.00 C ATOM 0 H THR A 14 4.810 -3.621 8.229 1.00 0.00 H new ATOM 0 HA THR A 14 2.417 -4.507 6.901 1.00 0.00 H new ATOM 0 HB THR A 14 3.173 -5.695 9.456 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.027 -5.495 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.194 -7.793 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.694 -6.862 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.950 -6.844 6.658 1.00 0.00 H new ATOM 543 N LEU A 15 0.658 -3.479 8.292 1.00 0.00 N ATOM 544 CA LEU A 15 -0.430 -2.938 9.091 1.00 0.00 C ATOM 545 C LEU A 15 -1.711 -3.737 8.872 1.00 0.00 C ATOM 546 O LEU A 15 -2.192 -3.867 7.745 1.00 0.00 O ATOM 547 CB LEU A 15 -0.643 -1.464 8.735 1.00 0.00 C ATOM 548 CG LEU A 15 -1.336 -0.621 9.805 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.627 -1.281 10.255 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.408 -0.397 10.990 1.00 0.00 C ATOM 0 H LEU A 15 0.441 -3.585 7.301 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.167 -3.014 10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.327 -1.017 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.231 -1.411 7.819 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.582 0.348 9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.104 -0.665 11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.297 -1.388 9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.407 -2.265 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.917 0.205 11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.131 -1.359 11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.490 0.123 10.656 1.00 0.00 H new ATOM 562 N GLU A 16 -2.255 -4.276 9.959 1.00 0.00 N ATOM 563 CA GLU A 16 -3.477 -5.069 9.893 1.00 0.00 C ATOM 564 C GLU A 16 -4.711 -4.173 9.887 1.00 0.00 C ATOM 565 O GLU A 16 -4.841 -3.273 10.716 1.00 0.00 O ATOM 566 CB GLU A 16 -3.544 -6.039 11.073 1.00 0.00 C ATOM 567 CG GLU A 16 -4.198 -7.358 10.738 1.00 0.00 C ATOM 568 CD GLU A 16 -5.713 -7.279 10.745 1.00 0.00 C ATOM 569 OE1 GLU A 16 -6.287 -6.816 9.736 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -6.324 -7.679 11.758 1.00 0.00 O ATOM 0 H GLU A 16 -1.868 -4.177 10.897 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.460 -5.637 8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.533 -6.226 11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.093 -5.568 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.860 -7.687 9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.874 -8.112 11.456 1.00 0.00 H new ATOM 577 N VAL A 17 -5.612 -4.428 8.944 1.00 0.00 N ATOM 578 CA VAL A 17 -6.837 -3.646 8.827 1.00 0.00 C ATOM 579 C VAL A 17 -7.955 -4.465 8.192 1.00 0.00 C ATOM 580 O VAL A 17 -7.777 -5.055 7.126 1.00 0.00 O ATOM 581 CB VAL A 17 -6.615 -2.375 7.987 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.864 -1.327 8.790 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.873 -2.705 6.697 1.00 0.00 C ATOM 0 H VAL A 17 -5.517 -5.170 8.250 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.125 -3.361 9.839 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.589 -1.965 7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.717 -0.437 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.440 -1.067 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.895 -1.725 9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.726 -1.793 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.904 -3.143 6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.458 -3.416 6.113 1.00 0.00 H new ATOM 593 N GLU A 18 -9.108 -4.494 8.850 1.00 0.00 N ATOM 594 CA GLU A 18 -10.256 -5.237 8.344 1.00 0.00 C ATOM 595 C GLU A 18 -10.802 -4.584 7.077 1.00 0.00 C ATOM 596 O GLU A 18 -10.740 -3.364 6.923 1.00 0.00 O ATOM 597 CB GLU A 18 -11.353 -5.312 9.408 1.00 0.00 C ATOM 598 CG GLU A 18 -11.096 -6.365 10.474 1.00 0.00 C ATOM 599 CD GLU A 18 -11.797 -7.676 10.180 1.00 0.00 C ATOM 600 OE1 GLU A 18 -13.034 -7.739 10.348 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -11.110 -8.640 9.781 1.00 0.00 O ATOM 0 H GLU A 18 -9.273 -4.012 9.734 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.929 -6.248 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.450 -4.338 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.305 -5.524 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.023 -6.541 10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.430 -5.987 11.440 1.00 0.00 H new ATOM 608 N PRO A 19 -11.347 -5.388 6.148 1.00 0.00 N ATOM 609 CA PRO A 19 -11.900 -4.875 4.892 1.00 0.00 C ATOM 610 C PRO A 19 -13.047 -3.896 5.124 1.00 0.00 C ATOM 611 O PRO A 19 -13.152 -2.875 4.444 1.00 0.00 O ATOM 612 CB PRO A 19 -12.406 -6.131 4.170 1.00 0.00 C ATOM 613 CG PRO A 19 -12.522 -7.173 5.231 1.00 0.00 C ATOM 614 CD PRO A 19 -11.463 -6.851 6.245 1.00 0.00 C ATOM 0 HA PRO A 19 -11.156 -4.318 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.368 -5.949 3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.713 -6.441 3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.513 -7.160 5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.375 -8.170 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.754 -7.167 7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.520 -7.347 6.015 1.00 0.00 H new ATOM 622 N SER A 20 -13.904 -4.215 6.087 1.00 0.00 N ATOM 623 CA SER A 20 -15.043 -3.364 6.408 1.00 0.00 C ATOM 624 C SER A 20 -14.582 -2.055 7.044 1.00 0.00 C ATOM 625 O SER A 20 -15.223 -1.017 6.884 1.00 0.00 O ATOM 626 CB SER A 20 -16.002 -4.092 7.352 1.00 0.00 C ATOM 627 OG SER A 20 -15.313 -5.044 8.145 1.00 0.00 O ATOM 0 H SER A 20 -13.832 -5.057 6.659 1.00 0.00 H new ATOM 0 HA SER A 20 -15.564 -3.133 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.501 -3.369 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.779 -4.591 6.773 1.00 0.00 H new ATOM 0 HG SER A 20 -15.948 -5.494 8.741 1.00 0.00 H new ATOM 633 N ASP A 21 -13.468 -2.114 7.765 1.00 0.00 N ATOM 634 CA ASP A 21 -12.921 -0.934 8.425 1.00 0.00 C ATOM 635 C ASP A 21 -12.581 0.149 7.407 1.00 0.00 C ATOM 636 O ASP A 21 -11.852 -0.096 6.446 1.00 0.00 O ATOM 637 CB ASP A 21 -11.673 -1.305 9.229 1.00 0.00 C ATOM 638 CG ASP A 21 -11.999 -1.684 10.660 1.00 0.00 C ATOM 639 OD1 ASP A 21 -12.975 -1.132 11.213 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -11.279 -2.532 11.229 1.00 0.00 O ATOM 0 H ASP A 21 -12.926 -2.966 7.907 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.679 -0.544 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.165 -2.137 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.980 -0.464 9.228 1.00 0.00 H new ATOM 645 N THR A 22 -13.112 1.347 7.624 1.00 0.00 N ATOM 646 CA THR A 22 -12.865 2.468 6.725 1.00 0.00 C ATOM 647 C THR A 22 -11.390 2.853 6.728 1.00 0.00 C ATOM 648 O THR A 22 -10.602 2.323 7.511 1.00 0.00 O ATOM 649 CB THR A 22 -13.720 3.670 7.128 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.325 4.164 8.396 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.199 3.358 7.196 1.00 0.00 C ATOM 0 H THR A 22 -13.717 1.567 8.415 1.00 0.00 H new ATOM 0 HA THR A 22 -13.138 2.159 5.716 1.00 0.00 H new ATOM 0 HB THR A 22 -13.559 4.413 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.882 4.934 8.635 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.747 4.254 7.487 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.545 3.023 6.218 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.372 2.572 7.931 1.00 0.00 H new ATOM 659 N ILE A 23 -11.023 3.782 5.850 1.00 0.00 N ATOM 660 CA ILE A 23 -9.642 4.238 5.753 1.00 0.00 C ATOM 661 C ILE A 23 -9.189 4.900 7.050 1.00 0.00 C ATOM 662 O ILE A 23 -8.020 4.815 7.426 1.00 0.00 O ATOM 663 CB ILE A 23 -9.457 5.231 4.588 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.981 4.626 3.285 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.993 5.620 4.447 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.325 3.309 2.924 1.00 0.00 C ATOM 0 H ILE A 23 -11.663 4.233 5.196 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.030 3.355 5.567 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.031 6.132 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.057 4.475 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.822 5.337 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.881 6.321 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.651 6.089 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.397 4.729 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.745 2.938 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.252 3.457 2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.506 2.583 3.717 1.00 0.00 H new ATOM 678 N GLU A 24 -10.120 5.562 7.728 1.00 0.00 N ATOM 679 CA GLU A 24 -9.814 6.241 8.982 1.00 0.00 C ATOM 680 C GLU A 24 -9.251 5.266 10.011 1.00 0.00 C ATOM 681 O GLU A 24 -8.309 5.590 10.733 1.00 0.00 O ATOM 682 CB GLU A 24 -11.067 6.921 9.538 1.00 0.00 C ATOM 683 CG GLU A 24 -11.269 8.337 9.024 1.00 0.00 C ATOM 684 CD GLU A 24 -12.216 9.142 9.892 1.00 0.00 C ATOM 685 OE1 GLU A 24 -11.922 9.311 11.094 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -13.253 9.604 9.371 1.00 0.00 O ATOM 0 H GLU A 24 -11.092 5.643 7.431 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.057 6.999 8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.940 6.322 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.006 6.944 10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.305 8.844 8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.658 8.298 8.007 1.00 0.00 H new ATOM 693 N ASN A 25 -9.830 4.069 10.070 1.00 0.00 N ATOM 694 CA ASN A 25 -9.378 3.047 11.011 1.00 0.00 C ATOM 695 C ASN A 25 -7.955 2.606 10.679 1.00 0.00 C ATOM 696 O ASN A 25 -7.179 2.238 11.563 1.00 0.00 O ATOM 697 CB ASN A 25 -10.319 1.842 10.980 1.00 0.00 C ATOM 698 CG ASN A 25 -9.993 0.825 12.055 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.509 -0.270 11.764 1.00 0.00 O ATOM 700 ND2 ASN A 25 -10.255 1.181 13.307 1.00 0.00 N ATOM 0 H ASN A 25 -10.611 3.783 9.479 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.387 3.476 12.013 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.346 2.184 11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.260 1.364 10.002 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.055 0.537 14.073 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.656 2.098 13.503 1.00 0.00 H new ATOM 707 N VAL A 26 -7.621 2.657 9.398 1.00 0.00 N ATOM 708 CA VAL A 26 -6.295 2.276 8.934 1.00 0.00 C ATOM 709 C VAL A 26 -5.304 3.381 9.244 1.00 0.00 C ATOM 710 O VAL A 26 -4.334 3.170 9.972 1.00 0.00 O ATOM 711 CB VAL A 26 -6.301 1.983 7.426 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.084 1.160 7.028 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.589 1.269 7.051 1.00 0.00 C ATOM 0 H VAL A 26 -8.254 2.960 8.658 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.998 1.366 9.456 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.250 2.926 6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.111 0.966 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.176 1.711 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.092 0.214 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.592 1.062 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.659 0.331 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.441 1.901 7.300 1.00 0.00 H new ATOM 723 N LYS A 27 -5.579 4.580 8.736 1.00 0.00 N ATOM 724 CA LYS A 27 -4.728 5.725 9.022 1.00 0.00 C ATOM 725 C LYS A 27 -4.642 5.892 10.532 1.00 0.00 C ATOM 726 O LYS A 27 -3.675 6.432 11.065 1.00 0.00 O ATOM 727 CB LYS A 27 -5.288 6.991 8.374 1.00 0.00 C ATOM 728 CG LYS A 27 -5.496 6.859 6.876 1.00 0.00 C ATOM 729 CD LYS A 27 -4.192 6.549 6.161 1.00 0.00 C ATOM 730 CE LYS A 27 -4.394 5.540 5.042 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.867 4.224 5.555 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.376 4.780 8.131 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.733 5.557 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.239 7.241 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.608 7.821 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.219 6.069 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.918 7.784 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.773 7.468 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.468 6.160 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.118 5.932 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.456 5.403 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.354 3.459 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.692 4.167 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.886 4.126 5.372 1.00 0.00 H new ATOM 745 N ALA A 28 -5.669 5.383 11.208 1.00 0.00 N ATOM 746 CA ALA A 28 -5.746 5.413 12.654 1.00 0.00 C ATOM 747 C ALA A 28 -4.615 4.584 13.245 1.00 0.00 C ATOM 748 O ALA A 28 -3.761 5.096 13.970 1.00 0.00 O ATOM 749 CB ALA A 28 -7.095 4.866 13.093 1.00 0.00 C ATOM 0 H ALA A 28 -6.470 4.938 10.761 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.645 6.438 13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.159 4.886 14.181 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.891 5.480 12.671 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.203 3.840 12.742 1.00 0.00 H new ATOM 755 N LYS A 29 -4.606 3.296 12.906 1.00 0.00 N ATOM 756 CA LYS A 29 -3.568 2.393 13.380 1.00 0.00 C ATOM 757 C LYS A 29 -2.206 2.862 12.884 1.00 0.00 C ATOM 758 O LYS A 29 -1.231 2.880 13.635 1.00 0.00 O ATOM 759 CB LYS A 29 -3.841 0.967 12.897 1.00 0.00 C ATOM 760 CG LYS A 29 -5.156 0.395 13.401 1.00 0.00 C ATOM 761 CD LYS A 29 -5.410 -0.995 12.841 1.00 0.00 C ATOM 762 CE LYS A 29 -6.876 -1.197 12.495 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.620 -1.869 13.596 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.306 2.859 12.306 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.571 2.397 14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.844 0.956 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.025 0.320 13.221 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.142 0.353 14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.974 1.057 13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.801 -1.146 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.101 -1.744 13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.335 -0.231 12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.955 -1.794 11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.635 -1.663 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.469 -2.896 13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.276 -1.517 14.512 1.00 0.00 H new ATOM 777 N ILE A 30 -2.152 3.259 11.615 1.00 0.00 N ATOM 778 CA ILE A 30 -0.917 3.750 11.019 1.00 0.00 C ATOM 779 C ILE A 30 -0.454 5.019 11.729 1.00 0.00 C ATOM 780 O ILE A 30 0.736 5.331 11.756 1.00 0.00 O ATOM 781 CB ILE A 30 -1.089 4.037 9.510 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.500 2.761 8.773 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.198 4.598 8.921 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.802 2.980 7.307 1.00 0.00 C ATOM 0 H ILE A 30 -2.951 3.249 10.981 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.165 2.970 11.136 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.875 4.782 9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.701 2.025 8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.380 2.339 9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.057 4.793 7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.456 5.527 9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.004 3.876 9.053 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.086 2.033 6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.621 3.692 7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.916 3.373 6.808 1.00 0.00 H new ATOM 796 N GLN A 31 -1.409 5.744 12.307 1.00 0.00 N ATOM 797 CA GLN A 31 -1.109 6.975 13.026 1.00 0.00 C ATOM 798 C GLN A 31 -0.510 6.662 14.391 1.00 0.00 C ATOM 799 O GLN A 31 0.393 7.354 14.859 1.00 0.00 O ATOM 800 CB GLN A 31 -2.378 7.816 13.186 1.00 0.00 C ATOM 801 CG GLN A 31 -2.175 9.082 14.005 1.00 0.00 C ATOM 802 CD GLN A 31 -3.182 9.221 15.128 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.305 8.341 15.981 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.913 10.331 15.136 1.00 0.00 N ATOM 0 H GLN A 31 -2.399 5.498 12.290 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.380 7.544 12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.749 8.089 12.198 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.149 7.208 13.659 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.168 9.081 14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.247 9.949 13.349 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.779 11.035 14.410 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.608 10.479 15.868 1.00 0.00 H new ATOM 813 N ASP A 32 -1.019 5.611 15.026 1.00 0.00 N ATOM 814 CA ASP A 32 -0.532 5.202 16.339 1.00 0.00 C ATOM 815 C ASP A 32 0.712 4.321 16.221 1.00 0.00 C ATOM 816 O ASP A 32 1.407 4.082 17.208 1.00 0.00 O ATOM 817 CB ASP A 32 -1.628 4.455 17.100 1.00 0.00 C ATOM 818 CG ASP A 32 -1.524 4.647 18.600 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.129 5.750 19.032 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -1.837 3.693 19.344 1.00 0.00 O ATOM 0 H ASP A 32 -1.768 5.027 14.653 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.260 6.103 16.890 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.604 4.801 16.759 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.568 3.392 16.868 1.00 0.00 H new ATOM 825 N LYS A 33 0.987 3.836 15.010 1.00 0.00 N ATOM 826 CA LYS A 33 2.145 2.981 14.777 1.00 0.00 C ATOM 827 C LYS A 33 3.321 3.780 14.225 1.00 0.00 C ATOM 828 O LYS A 33 4.480 3.430 14.448 1.00 0.00 O ATOM 829 CB LYS A 33 1.781 1.851 13.807 1.00 0.00 C ATOM 830 CG LYS A 33 1.660 0.490 14.474 1.00 0.00 C ATOM 831 CD LYS A 33 2.308 -0.600 13.639 1.00 0.00 C ATOM 832 CE LYS A 33 3.809 -0.395 13.519 1.00 0.00 C ATOM 833 NZ LYS A 33 4.436 -0.093 14.836 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.424 4.021 14.180 1.00 0.00 H new ATOM 0 HA LYS A 33 2.444 2.553 15.734 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.836 2.092 13.320 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.539 1.797 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.129 0.523 15.458 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.608 0.253 14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.108 -1.572 14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.861 -0.612 12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.265 -1.291 13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.009 0.422 12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.434 -0.386 14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.378 0.929 15.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.934 -0.610 15.586 1.00 0.00 H new ATOM 847 N GLU A 34 3.020 4.851 13.496 1.00 0.00 N ATOM 848 CA GLU A 34 4.060 5.690 12.907 1.00 0.00 C ATOM 849 C GLU A 34 4.013 7.109 13.468 1.00 0.00 C ATOM 850 O GLU A 34 5.051 7.740 13.667 1.00 0.00 O ATOM 851 CB GLU A 34 3.909 5.725 11.385 1.00 0.00 C ATOM 852 CG GLU A 34 4.842 4.768 10.659 1.00 0.00 C ATOM 853 CD GLU A 34 6.240 5.331 10.495 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.691 6.072 11.395 1.00 0.00 O ATOM 855 OE2 GLU A 34 6.884 5.030 9.469 1.00 0.00 O1- ATOM 0 H GLU A 34 2.067 5.158 13.299 1.00 0.00 H new ATOM 0 HA GLU A 34 5.026 5.256 13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.879 5.482 11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.096 6.739 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.895 3.829 11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.429 4.538 9.677 1.00 0.00 H new ATOM 862 N GLY A 35 2.807 7.608 13.716 1.00 0.00 N ATOM 863 CA GLY A 35 2.656 8.951 14.245 1.00 0.00 C ATOM 864 C GLY A 35 2.228 9.944 13.182 1.00 0.00 C ATOM 865 O GLY A 35 2.528 11.134 13.277 1.00 0.00 O ATOM 0 H GLY A 35 1.932 7.107 13.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.919 8.942 15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.600 9.275 14.682 1.00 0.00 H new ATOM 869 N ILE A 36 1.527 9.451 12.166 1.00 0.00 N ATOM 870 CA ILE A 36 1.058 10.299 11.076 1.00 0.00 C ATOM 871 C ILE A 36 -0.455 10.506 11.151 1.00 0.00 C ATOM 872 O ILE A 36 -1.225 9.566 10.954 1.00 0.00 O ATOM 873 CB ILE A 36 1.413 9.692 9.705 1.00 0.00 C ATOM 874 CG1 ILE A 36 2.880 9.261 9.677 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.127 10.690 8.593 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.235 8.403 8.484 1.00 0.00 C ATOM 0 H ILE A 36 1.271 8.468 12.075 1.00 0.00 H new ATOM 0 HA ILE A 36 1.559 11.261 11.183 1.00 0.00 H new ATOM 0 HB ILE A 36 0.792 8.811 9.544 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.511 10.150 9.676 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.106 8.711 10.590 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.383 10.246 7.631 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.069 10.951 8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.724 11.589 8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.291 8.135 8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.630 7.497 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.041 8.958 7.566 1.00 0.00 H new ATOM 888 N PRO A 37 -0.906 11.743 11.435 1.00 0.00 N ATOM 889 CA PRO A 37 -2.336 12.056 11.531 1.00 0.00 C ATOM 890 C PRO A 37 -3.115 11.593 10.301 1.00 0.00 C ATOM 891 O PRO A 37 -2.591 11.599 9.188 1.00 0.00 O ATOM 892 CB PRO A 37 -2.361 13.582 11.636 1.00 0.00 C ATOM 893 CG PRO A 37 -1.038 13.942 12.216 1.00 0.00 C ATOM 894 CD PRO A 37 -0.063 12.929 11.684 1.00 0.00 C ATOM 0 HA PRO A 37 -2.807 11.550 12.374 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.504 14.044 10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.178 13.922 12.272 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.747 14.952 11.928 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.070 13.918 13.305 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.421 13.277 10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.728 12.716 12.403 1.00 0.00 H new ATOM 902 N PRO A 38 -4.384 11.181 10.485 1.00 0.00 N ATOM 903 CA PRO A 38 -5.230 10.713 9.381 1.00 0.00 C ATOM 904 C PRO A 38 -5.367 11.751 8.272 1.00 0.00 C ATOM 905 O PRO A 38 -5.434 11.407 7.092 1.00 0.00 O ATOM 906 CB PRO A 38 -6.588 10.462 10.044 1.00 0.00 C ATOM 907 CG PRO A 38 -6.281 10.267 11.488 1.00 0.00 C ATOM 908 CD PRO A 38 -5.091 11.137 11.778 1.00 0.00 C ATOM 0 HA PRO A 38 -4.808 9.832 8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.262 11.305 9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.077 9.584 9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.131 10.549 12.109 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.062 9.221 11.703 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.390 12.132 12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.466 10.715 12.565 1.00 0.00 H new ATOM 916 N ASP A 39 -5.412 13.023 8.658 1.00 0.00 N ATOM 917 CA ASP A 39 -5.547 14.109 7.693 1.00 0.00 C ATOM 918 C ASP A 39 -4.185 14.697 7.329 1.00 0.00 C ATOM 919 O ASP A 39 -4.092 15.843 6.890 1.00 0.00 O ATOM 920 CB ASP A 39 -6.452 15.206 8.255 1.00 0.00 C ATOM 921 CG ASP A 39 -7.922 14.838 8.177 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.268 13.697 8.547 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -8.725 15.693 7.747 1.00 0.00 O ATOM 0 H ASP A 39 -5.357 13.326 9.630 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.996 13.699 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.183 15.399 9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.282 16.131 7.705 1.00 0.00 H new ATOM 928 N GLN A 40 -3.131 13.907 7.512 1.00 0.00 N ATOM 929 CA GLN A 40 -1.777 14.354 7.201 1.00 0.00 C ATOM 930 C GLN A 40 -1.164 13.513 6.084 1.00 0.00 C ATOM 931 O GLN A 40 -0.301 13.984 5.343 1.00 0.00 O ATOM 932 CB GLN A 40 -0.896 14.288 8.450 1.00 0.00 C ATOM 933 CG GLN A 40 -0.800 15.607 9.197 1.00 0.00 C ATOM 934 CD GLN A 40 -0.211 16.717 8.347 1.00 0.00 C ATOM 935 OE1 GLN A 40 -0.931 17.583 7.850 1.00 0.00 O ATOM 936 NE2 GLN A 40 1.106 16.696 8.177 1.00 0.00 N ATOM 0 H GLN A 40 -3.188 12.955 7.874 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.834 15.387 6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.291 13.527 9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.106 13.970 8.161 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.793 15.902 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.187 15.472 10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.664 15.959 8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.559 17.417 7.616 1.00 0.00 H new ATOM 945 N GLN A 41 -1.610 12.265 5.971 1.00 0.00 N ATOM 946 CA GLN A 41 -1.100 11.361 4.946 1.00 0.00 C ATOM 947 C GLN A 41 -2.226 10.857 4.050 1.00 0.00 C ATOM 948 O GLN A 41 -3.262 10.400 4.534 1.00 0.00 O ATOM 949 CB GLN A 41 -0.385 10.176 5.598 1.00 0.00 C ATOM 950 CG GLN A 41 -1.286 9.346 6.497 1.00 0.00 C ATOM 951 CD GLN A 41 -0.516 8.322 7.309 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.569 7.892 6.919 1.00 0.00 O ATOM 953 NE2 GLN A 41 -1.078 7.925 8.445 1.00 0.00 N ATOM 0 H GLN A 41 -2.323 11.857 6.576 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.392 11.914 4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.026 9.536 4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.457 10.547 6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.828 10.008 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.031 8.835 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.979 8.309 8.729 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.608 7.237 9.033 1.00 0.00 H new ATOM 962 N ARG A 42 -2.015 10.938 2.741 1.00 0.00 N ATOM 963 CA ARG A 42 -3.008 10.484 1.775 1.00 0.00 C ATOM 964 C ARG A 42 -2.617 9.127 1.201 1.00 0.00 C ATOM 965 O ARG A 42 -1.502 8.948 0.713 1.00 0.00 O ATOM 966 CB ARG A 42 -3.159 11.506 0.647 1.00 0.00 C ATOM 967 CG ARG A 42 -3.340 12.934 1.138 1.00 0.00 C ATOM 968 CD ARG A 42 -2.673 13.932 0.206 1.00 0.00 C ATOM 969 NE ARG A 42 -3.091 15.304 0.485 1.00 0.00 N ATOM 970 CZ ARG A 42 -2.446 16.380 0.040 1.00 0.00 C ATOM 971 NH1 ARG A 42 -1.354 16.249 -0.703 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -2.894 17.592 0.339 1.00 0.00 N ATOM 0 H ARG A 42 -1.164 11.315 2.324 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.964 10.382 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.278 11.460 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.016 11.231 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.403 13.161 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.919 13.032 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.590 13.855 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.915 13.682 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.926 15.445 1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.004 15.320 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.865 17.078 -1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.733 17.699 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.400 18.417 -0.002 1.00 0.00 H new ATOM 986 N LEU A 43 -3.538 8.171 1.265 1.00 0.00 N ATOM 987 CA LEU A 43 -3.279 6.830 0.755 1.00 0.00 C ATOM 988 C LEU A 43 -3.971 6.605 -0.586 1.00 0.00 C ATOM 989 O LEU A 43 -5.074 7.098 -0.819 1.00 0.00 O ATOM 990 CB LEU A 43 -3.742 5.779 1.765 1.00 0.00 C ATOM 991 CG LEU A 43 -2.886 4.517 1.826 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.748 4.712 2.801 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.728 3.318 2.222 1.00 0.00 C ATOM 0 H LEU A 43 -4.468 8.300 1.664 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.204 6.732 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.762 6.234 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.766 5.493 1.525 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.471 4.327 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.142 3.807 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.130 5.549 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.150 4.921 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.099 2.428 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.170 3.492 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.520 3.171 1.488 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.311 5.856 -1.464 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.856 5.560 -2.783 1.00 0.00 C ATOM 1007 C ILE A 44 -3.654 4.091 -3.140 1.00 0.00 C ATOM 1008 O ILE A 44 -2.689 3.460 -2.703 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.205 6.434 -3.873 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.222 7.908 -3.458 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.921 6.243 -5.202 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.865 8.434 -3.046 1.00 0.00 C ATOM 0 H ILE A 44 -2.396 5.443 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.922 5.782 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.167 6.124 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.598 8.507 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.919 8.036 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.450 6.867 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.859 5.197 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.968 6.529 -5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.952 9.484 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.495 7.860 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.169 8.338 -3.879 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.572 3.550 -3.935 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.497 2.154 -4.351 1.00 0.00 C ATOM 1026 C PHE A 45 -5.292 1.923 -5.633 1.00 0.00 C ATOM 1027 O PHE A 45 -6.437 2.359 -5.751 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.022 1.243 -3.241 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.580 -0.186 -3.378 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.239 -0.499 -3.531 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.508 -1.216 -3.354 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -2.831 -1.813 -3.658 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.105 -2.533 -3.480 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.765 -2.831 -3.632 1.00 0.00 C ATOM 0 H PHE A 45 -5.376 4.057 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.452 1.914 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.687 1.628 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.111 1.279 -3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.505 0.293 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.557 -0.987 -3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.783 -2.044 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.837 -3.327 -3.460 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.448 -3.859 -3.730 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.677 1.235 -6.589 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.327 0.945 -7.862 1.00 0.00 C ATOM 1046 C ALA A 46 -5.763 2.227 -8.562 1.00 0.00 C ATOM 1047 O ALA A 46 -6.754 2.241 -9.292 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.520 0.026 -7.647 1.00 0.00 C ATOM 0 H ALA A 46 -3.729 0.868 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.605 0.441 -8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.996 -0.182 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.183 -0.908 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.237 0.510 -6.983 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.018 3.303 -8.334 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.345 4.576 -8.950 1.00 0.00 C ATOM 1056 C GLY A 47 -6.582 5.211 -8.346 1.00 0.00 C ATOM 1057 O GLY A 47 -7.278 5.982 -9.009 1.00 0.00 O ATOM 0 H GLY A 47 -4.193 3.317 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.501 5.257 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.500 4.430 -10.019 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.858 4.888 -7.086 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.020 5.433 -6.395 1.00 0.00 C ATOM 1063 C LYS A 48 -7.607 6.119 -5.096 1.00 0.00 C ATOM 1064 O LYS A 48 -6.801 5.589 -4.331 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.032 4.323 -6.100 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.654 3.720 -7.349 1.00 0.00 C ATOM 1067 CD LYS A 48 -11.080 3.261 -7.094 1.00 0.00 C ATOM 1068 CE LYS A 48 -11.567 2.323 -8.186 1.00 0.00 C ATOM 1069 NZ LYS A 48 -12.550 1.331 -7.670 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.293 4.252 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.484 6.174 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.538 3.534 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.824 4.723 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.646 4.456 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.053 2.875 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.134 2.757 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.738 4.128 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.025 2.905 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.716 1.798 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.857 0.711 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.106 0.758 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.374 1.830 -7.279 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.165 7.301 -4.854 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.854 8.058 -3.647 1.00 0.00 C ATOM 1085 C GLN A 49 -8.641 7.529 -2.453 1.00 0.00 C ATOM 1086 O GLN A 49 -9.856 7.707 -2.368 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.163 9.542 -3.859 1.00 0.00 C ATOM 1088 CG GLN A 49 -9.570 9.809 -4.316 1.00 0.00 C ATOM 1089 CD GLN A 49 -10.279 10.851 -3.471 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -10.178 10.713 -2.154 1.00 0.00 O flip ATOM 1091 NE2 GLN A 49 -10.910 11.768 -3.995 1.00 0.00 N flip ATOM 0 H GLN A 49 -8.834 7.755 -5.477 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.791 7.940 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.986 10.077 -2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.469 9.947 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.552 10.141 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.138 8.879 -4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.962 11.836 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.382 12.460 -3.413 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.938 6.876 -1.533 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.570 6.319 -0.342 1.00 0.00 C ATOM 1102 C LEU A 50 -9.106 7.426 0.560 1.00 0.00 C ATOM 1103 O LEU A 50 -8.350 8.067 1.289 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.571 5.455 0.431 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.575 3.970 0.064 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.393 3.785 -1.435 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.496 3.231 0.831 1.00 0.00 C ATOM 0 H LEU A 50 -6.932 6.720 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.408 5.700 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.569 5.851 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.781 5.550 1.496 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.542 3.551 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.399 2.721 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.207 4.280 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.442 4.221 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.513 2.176 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.521 3.653 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.677 3.332 1.901 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.416 7.645 0.505 1.00 0.00 N ATOM 1120 CA GLU A 51 -11.053 8.675 1.318 1.00 0.00 C ATOM 1121 C GLU A 51 -11.199 8.211 2.764 1.00 0.00 C ATOM 1122 O GLU A 51 -11.290 7.014 3.035 1.00 0.00 O ATOM 1123 CB GLU A 51 -12.426 9.032 0.744 1.00 0.00 C ATOM 1124 CG GLU A 51 -12.389 10.185 -0.246 1.00 0.00 C ATOM 1125 CD GLU A 51 -13.718 10.907 -0.349 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -14.147 11.508 0.658 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -14.330 10.873 -1.438 1.00 0.00 O1- ATOM 0 H GLU A 51 -11.057 7.124 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.419 9.561 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.844 8.154 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.098 9.288 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.617 10.893 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.108 9.806 -1.229 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.221 9.166 3.688 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.355 8.855 5.108 1.00 0.00 C ATOM 1136 C ASP A 52 -12.616 8.035 5.371 1.00 0.00 C ATOM 1137 O ASP A 52 -12.660 7.227 6.298 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.391 10.143 5.932 1.00 0.00 C ATOM 1139 CG ASP A 52 -10.003 10.682 6.221 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -9.076 10.388 5.438 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -9.844 11.399 7.232 1.00 0.00 O1- ATOM 0 H ASP A 52 -11.148 10.162 3.480 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.490 8.263 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.967 10.898 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.908 9.955 6.873 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.637 8.249 4.547 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.882 7.522 4.707 1.00 0.00 C ATOM 1148 C GLY A 53 -15.104 6.504 3.607 1.00 0.00 C ATOM 1149 O GLY A 53 -16.144 6.508 2.948 1.00 0.00 O ATOM 0 H GLY A 53 -13.624 8.912 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.882 7.015 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.713 8.228 4.718 1.00 0.00 H new ATOM 1153 N ARG A 54 -14.125 5.628 3.407 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.217 4.599 2.378 1.00 0.00 C ATOM 1155 C ARG A 54 -13.714 3.258 2.904 1.00 0.00 C ATOM 1156 O ARG A 54 -12.855 3.208 3.784 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.415 5.009 1.142 1.00 0.00 C ATOM 1158 CG ARG A 54 -14.138 6.006 0.252 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.294 5.354 -0.490 1.00 0.00 C ATOM 1160 NE ARG A 54 -16.553 5.478 0.241 1.00 0.00 N ATOM 1161 CZ ARG A 54 -17.705 4.957 -0.174 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.763 4.276 -1.311 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -18.804 5.117 0.552 1.00 0.00 N ATOM 0 H ARG A 54 -13.258 5.610 3.944 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.266 4.491 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.466 5.441 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.180 4.118 0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.512 6.831 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.436 6.430 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.399 5.813 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.072 4.299 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.549 5.994 1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.921 4.149 -1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.649 3.879 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.765 5.639 1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.687 4.718 0.235 1.00 0.00 H new ATOM 1177 N THR A 55 -14.258 2.173 2.361 1.00 0.00 N ATOM 1178 CA THR A 55 -13.865 0.832 2.777 1.00 0.00 C ATOM 1179 C THR A 55 -12.668 0.337 1.972 1.00 0.00 C ATOM 1180 O THR A 55 -12.216 1.001 1.040 1.00 0.00 O ATOM 1181 CB THR A 55 -15.038 -0.137 2.618 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.720 0.098 1.399 1.00 0.00 O ATOM 1183 CG2 THR A 55 -16.051 -0.039 3.738 1.00 0.00 C ATOM 0 H THR A 55 -14.972 2.197 1.633 1.00 0.00 H new ATOM 0 HA THR A 55 -13.577 0.876 3.827 1.00 0.00 H new ATOM 0 HB THR A 55 -14.595 -1.133 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.466 -0.532 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.856 -0.753 3.564 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.566 -0.264 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.461 0.970 3.770 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.159 -0.833 2.343 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.013 -1.423 1.660 1.00 0.00 C ATOM 1193 C LEU A 56 -11.455 -2.312 0.504 1.00 0.00 C ATOM 1194 O LEU A 56 -10.923 -2.220 -0.603 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.174 -2.230 2.640 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.779 -1.500 3.923 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.412 -1.947 4.365 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.747 -0.004 3.722 1.00 0.00 C ATOM 0 H LEU A 56 -12.523 -1.393 3.114 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.412 -0.609 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.727 -3.130 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.265 -2.554 2.133 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.526 -1.741 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.136 -1.423 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.423 -3.021 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.685 -1.721 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.462 0.482 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.021 0.244 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.734 0.343 3.418 1.00 0.00 H new ATOM 1210 N SER A 57 -12.430 -3.177 0.770 1.00 0.00 N ATOM 1211 CA SER A 57 -12.944 -4.089 -0.246 1.00 0.00 C ATOM 1212 C SER A 57 -13.335 -3.337 -1.515 1.00 0.00 C ATOM 1213 O SER A 57 -13.328 -3.901 -2.610 1.00 0.00 O ATOM 1214 CB SER A 57 -14.148 -4.861 0.298 1.00 0.00 C ATOM 1215 OG SER A 57 -14.733 -5.669 -0.709 1.00 0.00 O ATOM 0 H SER A 57 -12.880 -3.265 1.681 1.00 0.00 H new ATOM 0 HA SER A 57 -12.151 -4.793 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.835 -5.486 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.889 -4.161 0.683 1.00 0.00 H new ATOM 0 HG SER A 57 -15.499 -6.153 -0.336 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.672 -2.060 -1.363 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.061 -1.233 -2.499 1.00 0.00 C ATOM 1223 C ASP A 58 -12.880 -1.018 -3.441 1.00 0.00 C ATOM 1224 O ASP A 58 -13.057 -0.876 -4.651 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.596 0.116 -2.016 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.750 0.616 -2.864 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.878 0.108 -2.691 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -15.526 1.518 -3.699 1.00 0.00 O1- ATOM 0 H ASP A 58 -13.683 -1.576 -0.465 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.849 -1.753 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.922 0.025 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.791 0.851 -2.033 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.676 -0.995 -2.877 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.466 -0.797 -3.668 1.00 0.00 C ATOM 1235 C TYR A 59 -9.748 -2.122 -3.926 1.00 0.00 C ATOM 1236 O TYR A 59 -8.613 -2.139 -4.402 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.522 0.173 -2.955 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.174 1.483 -2.576 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.325 2.502 -3.508 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.639 1.701 -1.285 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.921 3.700 -3.165 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -11.237 2.896 -0.934 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.376 3.893 -1.877 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.970 5.085 -1.532 1.00 0.00 O ATOM 0 H TYR A 59 -11.512 -1.111 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.761 -0.375 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.136 -0.305 -2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.667 0.375 -3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.971 2.355 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.531 0.923 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.030 4.482 -3.902 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.594 3.049 0.074 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.416 5.467 -2.316 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.414 -3.232 -3.615 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.836 -4.555 -3.819 1.00 0.00 C ATOM 1256 C ASN A 60 -8.529 -4.710 -3.044 1.00 0.00 C ATOM 1257 O ASN A 60 -7.548 -5.240 -3.563 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.590 -4.799 -5.309 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.871 -4.771 -6.120 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.571 -5.777 -6.231 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.186 -3.612 -6.689 1.00 0.00 N ATOM 0 H ASN A 60 -11.355 -3.240 -3.221 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.545 -5.294 -3.446 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.906 -4.041 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.101 -5.765 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.038 -3.531 -7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.576 -2.803 -6.570 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.527 -4.249 -1.797 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.340 -4.343 -0.954 1.00 0.00 C ATOM 1270 C ILE A 61 -7.257 -5.708 -0.279 1.00 0.00 C ATOM 1271 O ILE A 61 -7.988 -5.988 0.672 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.326 -3.247 0.131 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.567 -1.871 -0.498 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -6.005 -3.267 0.886 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.512 -0.730 0.496 1.00 0.00 C ATOM 0 H ILE A 61 -9.331 -3.808 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.478 -4.205 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.130 -3.447 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.822 -1.701 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.542 -1.870 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.010 -2.488 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.872 -4.239 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.185 -3.088 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.692 0.212 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.276 -0.876 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.529 -0.704 0.966 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.362 -6.556 -0.777 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.184 -7.894 -0.222 1.00 0.00 C ATOM 1289 C GLN A 62 -5.110 -7.894 0.861 1.00 0.00 C ATOM 1290 O GLN A 62 -4.668 -6.837 1.312 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.810 -8.881 -1.329 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.681 -8.764 -2.569 1.00 0.00 C ATOM 1293 CD GLN A 62 -6.107 -9.512 -3.757 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -4.898 -9.498 -3.989 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -6.975 -10.169 -4.517 1.00 0.00 N ATOM 0 H GLN A 62 -5.749 -6.341 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.127 -8.204 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.769 -8.721 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.883 -9.896 -0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.676 -9.150 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.798 -7.712 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.969 -10.153 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.648 -10.690 -5.331 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.694 -9.086 1.276 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.671 -9.221 2.307 1.00 0.00 C ATOM 1306 C LYS A 63 -2.295 -8.859 1.758 1.00 0.00 C ATOM 1307 O LYS A 63 -1.990 -9.123 0.595 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.657 -10.649 2.860 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.205 -11.692 1.849 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.368 -12.536 1.356 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.043 -13.278 2.499 1.00 0.00 C ATOM 1312 NZ LYS A 63 -5.774 -14.485 2.025 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.049 -9.971 0.915 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.912 -8.531 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.998 -10.687 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.658 -10.904 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.730 -11.196 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.453 -12.338 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.096 -11.897 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.011 -13.253 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.293 -13.573 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.738 -12.609 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.219 -14.961 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.507 -14.202 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.107 -15.136 1.564 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.470 -8.249 2.602 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.125 -7.846 2.204 1.00 0.00 C ATOM 1328 C GLU A 64 -0.166 -6.936 0.979 1.00 0.00 C ATOM 1329 O GLU A 64 0.799 -6.861 0.219 1.00 0.00 O ATOM 1330 CB GLU A 64 0.735 -9.077 1.913 1.00 0.00 C ATOM 1331 CG GLU A 64 1.114 -9.863 3.158 1.00 0.00 C ATOM 1332 CD GLU A 64 2.039 -11.025 2.854 1.00 0.00 C ATOM 1333 OE1 GLU A 64 3.207 -10.773 2.488 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.598 -12.186 2.983 1.00 0.00 O ATOM 0 H GLU A 64 -1.709 -8.022 3.567 1.00 0.00 H new ATOM 0 HA GLU A 64 0.318 -7.290 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.196 -9.733 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.645 -8.762 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.597 -9.196 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.209 -10.239 3.636 1.00 0.00 H new ATOM 1341 N SER A 65 -1.288 -6.248 0.794 1.00 0.00 N ATOM 1342 CA SER A 65 -1.451 -5.343 -0.339 1.00 0.00 C ATOM 1343 C SER A 65 -0.581 -4.104 -0.168 1.00 0.00 C ATOM 1344 O SER A 65 -0.460 -3.565 0.933 1.00 0.00 O ATOM 1345 CB SER A 65 -2.917 -4.936 -0.487 1.00 0.00 C ATOM 1346 OG SER A 65 -3.722 -6.045 -0.849 1.00 0.00 O ATOM 0 H SER A 65 -2.097 -6.299 1.413 1.00 0.00 H new ATOM 0 HA SER A 65 -1.136 -5.867 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.276 -4.513 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.006 -4.156 -1.243 1.00 0.00 H new ATOM 0 HG SER A 65 -3.767 -6.112 -1.826 1.00 0.00 H new ATOM 1352 N THR A 66 0.026 -3.656 -1.262 1.00 0.00 N ATOM 1353 CA THR A 66 0.886 -2.480 -1.228 1.00 0.00 C ATOM 1354 C THR A 66 0.068 -1.200 -1.361 1.00 0.00 C ATOM 1355 O THR A 66 -0.301 -0.799 -2.464 1.00 0.00 O ATOM 1356 CB THR A 66 1.936 -2.552 -2.340 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.698 -3.662 -3.189 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.350 -2.672 -1.815 1.00 0.00 C ATOM 0 H THR A 66 -0.062 -4.089 -2.181 1.00 0.00 H new ATOM 0 HA THR A 66 1.394 -2.463 -0.264 1.00 0.00 H new ATOM 0 HB THR A 66 1.843 -1.613 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.379 -3.687 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.046 -2.719 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.583 -1.805 -1.197 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.440 -3.579 -1.217 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.207 -0.561 -0.228 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.978 0.677 -0.218 1.00 0.00 C ATOM 1368 C LEU A 67 -0.053 1.886 -0.318 1.00 0.00 C ATOM 1369 O LEU A 67 0.814 2.088 0.532 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.827 0.765 1.054 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.164 0.027 0.998 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.995 0.319 2.237 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.933 0.397 -0.261 1.00 0.00 C ATOM 0 H LEU A 67 0.092 -0.880 0.694 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.641 0.676 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.246 0.369 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.019 1.816 1.271 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.957 -1.043 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.942 -0.217 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.452 -0.006 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.188 1.390 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.881 -0.140 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.124 1.470 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.346 0.127 -1.139 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.237 2.683 -1.366 1.00 0.00 N ATOM 1386 CA HIS A 68 0.588 3.868 -1.578 1.00 0.00 C ATOM 1387 C HIS A 68 0.254 4.953 -0.561 1.00 0.00 C ATOM 1388 O HIS A 68 -0.907 5.315 -0.388 1.00 0.00 O ATOM 1389 CB HIS A 68 0.392 4.404 -2.997 1.00 0.00 C ATOM 1390 CG HIS A 68 0.452 3.342 -4.051 1.00 0.00 C ATOM 1391 ND1 HIS A 68 -0.462 3.250 -5.081 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.326 2.323 -4.233 1.00 0.00 C ATOM 1393 CE1 HIS A 68 -0.153 2.220 -5.849 1.00 0.00 C ATOM 1394 NE2 HIS A 68 0.927 1.643 -5.357 1.00 0.00 N ATOM 0 H HIS A 68 -0.949 2.530 -2.081 1.00 0.00 H new ATOM 0 HA HIS A 68 1.631 3.582 -1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.572 4.909 -3.056 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.157 5.153 -3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.177 2.089 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.693 1.904 -6.730 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.391 0.823 -5.749 1.00 0.00 H new ATOM 1403 N LEU A 69 1.281 5.470 0.107 1.00 0.00 N ATOM 1404 CA LEU A 69 1.092 6.516 1.106 1.00 0.00 C ATOM 1405 C LEU A 69 1.744 7.820 0.659 1.00 0.00 C ATOM 1406 O LEU A 69 2.745 7.813 -0.058 1.00 0.00 O ATOM 1407 CB LEU A 69 1.676 6.080 2.450 1.00 0.00 C ATOM 1408 CG LEU A 69 1.076 6.773 3.671 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.028 5.826 4.861 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.881 8.011 4.003 1.00 0.00 C ATOM 0 H LEU A 69 2.251 5.182 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 69 0.021 6.684 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.537 5.004 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.750 6.263 2.439 1.00 0.00 H new ATOM 0 HG LEU A 69 0.053 7.069 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.597 6.342 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.415 4.960 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.038 5.497 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.449 8.503 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.911 7.728 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.863 8.695 3.155 1.00 0.00 H new ATOM 1422 N VAL A 70 1.169 8.939 1.089 1.00 0.00 N ATOM 1423 CA VAL A 70 1.694 10.253 0.736 1.00 0.00 C ATOM 1424 C VAL A 70 1.809 11.145 1.966 1.00 0.00 C ATOM 1425 O VAL A 70 0.843 11.795 2.368 1.00 0.00 O ATOM 1426 CB VAL A 70 0.804 10.952 -0.309 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.462 12.229 -0.805 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.504 10.013 -1.469 1.00 0.00 C ATOM 0 H VAL A 70 0.340 8.962 1.682 1.00 0.00 H new ATOM 0 HA VAL A 70 2.685 10.094 0.310 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.140 11.219 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.818 12.708 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.619 12.907 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.422 11.990 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.126 10.524 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.438 9.712 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.015 9.130 -1.097 1.00 0.00 H new ATOM 1438 N LEU A 71 2.997 11.173 2.562 1.00 0.00 N ATOM 1439 CA LEU A 71 3.239 11.987 3.749 1.00 0.00 C ATOM 1440 C LEU A 71 3.253 13.470 3.398 1.00 0.00 C ATOM 1441 O LEU A 71 4.125 13.936 2.665 1.00 0.00 O ATOM 1442 CB LEU A 71 4.564 11.591 4.402 1.00 0.00 C ATOM 1443 CG LEU A 71 4.723 10.098 4.694 1.00 0.00 C ATOM 1444 CD1 LEU A 71 6.130 9.798 5.187 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.690 9.644 5.714 1.00 0.00 C ATOM 0 H LEU A 71 3.807 10.642 2.243 1.00 0.00 H new ATOM 0 HA LEU A 71 2.427 11.808 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.380 11.907 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.669 12.141 5.337 1.00 0.00 H new ATOM 0 HG LEU A 71 4.559 9.545 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.225 8.731 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.852 10.088 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.323 10.360 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.817 8.579 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.823 10.203 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.689 9.824 5.323 1.00 0.00 H new ATOM 1457 N ARG A 72 2.282 14.208 3.925 1.00 0.00 N ATOM 1458 CA ARG A 72 2.183 15.639 3.667 1.00 0.00 C ATOM 1459 C ARG A 72 3.254 16.406 4.436 1.00 0.00 C ATOM 1460 O ARG A 72 3.206 16.500 5.662 1.00 0.00 O ATOM 1461 CB ARG A 72 0.795 16.154 4.054 1.00 0.00 C ATOM 1462 CG ARG A 72 0.533 17.586 3.617 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.322 18.331 4.630 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.740 18.292 4.282 1.00 0.00 N ATOM 1465 CZ ARG A 72 -2.258 18.884 3.209 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -1.477 19.563 2.377 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -3.559 18.799 2.967 1.00 0.00 N ATOM 0 H ARG A 72 1.552 13.838 4.534 1.00 0.00 H new ATOM 0 HA ARG A 72 2.339 15.802 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.040 15.504 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.680 16.086 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.482 18.107 3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.034 17.586 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.179 17.893 5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.008 19.368 4.691 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.371 17.780 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.476 19.632 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.878 20.015 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.163 18.280 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.955 19.253 2.144 1.00 0.00 H new ATOM 1481 N LEU A 73 4.222 16.952 3.706 1.00 0.00 N ATOM 1482 CA LEU A 73 5.305 17.711 4.319 1.00 0.00 C ATOM 1483 C LEU A 73 4.766 18.937 5.049 1.00 0.00 C ATOM 1484 O LEU A 73 3.573 19.236 4.985 1.00 0.00 O ATOM 1485 CB LEU A 73 6.320 18.141 3.257 1.00 0.00 C ATOM 1486 CG LEU A 73 7.419 17.118 2.962 1.00 0.00 C ATOM 1487 CD1 LEU A 73 6.816 15.822 2.444 1.00 0.00 C ATOM 1488 CD2 LEU A 73 8.415 17.684 1.959 1.00 0.00 C ATOM 0 H LEU A 73 4.278 16.883 2.690 1.00 0.00 H new ATOM 0 HA LEU A 73 5.800 17.067 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.786 18.356 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.787 19.072 3.578 1.00 0.00 H new ATOM 0 HG LEU A 73 7.949 16.902 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.612 15.106 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.141 15.409 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.262 16.020 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.191 16.945 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.898 17.927 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.870 18.586 2.368 1.00 0.00 H new ATOM 1500 N ARG A 74 5.653 19.644 5.743 1.00 0.00 N ATOM 1501 CA ARG A 74 5.264 20.838 6.484 1.00 0.00 C ATOM 1502 C ARG A 74 4.226 20.503 7.550 1.00 0.00 C ATOM 1503 O ARG A 74 3.050 20.304 7.244 1.00 0.00 O ATOM 1504 CB ARG A 74 4.711 21.899 5.532 1.00 0.00 C ATOM 1505 CG ARG A 74 5.036 23.323 5.952 1.00 0.00 C ATOM 1506 CD ARG A 74 5.266 24.221 4.747 1.00 0.00 C ATOM 1507 NE ARG A 74 5.943 25.463 5.111 1.00 0.00 N ATOM 1508 CZ ARG A 74 5.355 26.466 5.758 1.00 0.00 C ATOM 1509 NH1 ARG A 74 4.079 26.378 6.114 1.00 0.00 N1+ ATOM 1510 NH2 ARG A 74 6.044 27.561 6.051 1.00 0.00 N ATOM 0 H ARG A 74 6.644 19.411 5.807 1.00 0.00 H new ATOM 0 HA ARG A 74 6.152 21.232 6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.112 21.723 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.629 21.787 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.219 23.722 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.925 23.323 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.861 23.688 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.309 24.453 4.280 1.00 0.00 H new ATOM 0 HE ARG A 74 6.925 25.568 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.544 25.538 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.633 27.150 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.025 27.634 5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.593 28.330 6.547 1.00 0.00 H new ATOM 1524 N GLY A 75 4.667 20.442 8.802 1.00 0.00 N ATOM 1525 CA GLY A 75 3.763 20.131 9.893 1.00 0.00 C ATOM 1526 C GLY A 75 3.365 21.360 10.686 1.00 0.00 C ATOM 1527 O GLY A 75 2.736 22.273 10.152 1.00 0.00 O ATOM 0 H GLY A 75 5.635 20.603 9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.868 19.655 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.237 19.411 10.559 1.00 0.00 H new ATOM 1531 N GLY A 76 3.732 21.383 11.963 1.00 0.00 N ATOM 1532 CA GLY A 76 3.400 22.513 12.810 1.00 0.00 C ATOM 1533 C GLY A 76 4.529 22.883 13.752 1.00 0.00 C ATOM 1534 O GLY A 76 5.449 22.058 13.928 1.00 0.00 O ATOM 1535 OXT GLY A 76 4.492 23.999 14.312 1.00 0.00 O ATOM 0 H GLY A 76 4.254 20.639 12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.156 23.372 12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.508 22.278 13.391 1.00 0.00 H new TER 1539 GLY A 76