USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 631 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 57 ASN : amide:sc= -2.88 K(o=-6.7,f=-11!) USER MOD Set 1.2: A 59 ASN : amide:sc= -3.83 K(o=-6.7,f=-15!) USER MOD Single : A 11 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.79 K(o=-4.8,f=-6.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -1.75 USER MOD Single : A 27 ASN : amide:sc=-0.00597 X(o=-0.006,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.028 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 27:sc= 0.38 USER MOD Single : A 47 THR OG1 : rot -116:sc= 1.29 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 163:sc= 1.16 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 156:sc= -1.27 (180deg=-1.92!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.867 7.756 -5.171 1.00 0.00 N ATOM 67 CA LEU A 8 0.906 7.125 -4.282 1.00 0.00 C ATOM 68 C LEU A 8 0.744 5.654 -4.674 1.00 0.00 C ATOM 69 O LEU A 8 0.726 4.777 -3.813 1.00 0.00 O ATOM 70 CB LEU A 8 -0.408 7.907 -4.270 1.00 0.00 C ATOM 71 CG LEU A 8 -0.320 9.360 -3.798 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.574 10.142 -4.194 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.050 9.433 -2.295 1.00 0.00 C ATOM 0 HA LEU A 8 1.269 7.143 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.822 7.898 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.115 7.380 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 8 0.525 9.831 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.486 11.171 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.681 10.133 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.450 9.679 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.008 10.477 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.858 8.939 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.893 8.935 -2.070 1.00 0.00 H new ATOM 85 N ARG A 9 0.630 5.432 -5.975 1.00 0.00 N ATOM 86 CA ARG A 9 0.470 4.083 -6.492 1.00 0.00 C ATOM 87 C ARG A 9 1.546 3.162 -5.915 1.00 0.00 C ATOM 88 O ARG A 9 1.234 2.118 -5.343 1.00 0.00 O ATOM 89 CB ARG A 9 0.559 4.065 -8.020 1.00 0.00 C ATOM 90 CG ARG A 9 0.719 2.636 -8.543 1.00 0.00 C ATOM 91 CD ARG A 9 0.239 2.525 -9.991 1.00 0.00 C ATOM 92 NE ARG A 9 1.318 2.936 -10.916 1.00 0.00 N ATOM 93 CZ ARG A 9 1.198 2.956 -12.250 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.044 2.589 -12.825 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.231 3.344 -13.011 1.00 0.00 N ATOM 0 H ARG A 9 0.645 6.163 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.516 3.728 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.339 4.513 -8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.404 4.672 -8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.765 2.337 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.152 1.949 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.063 1.500 -10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.639 3.154 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 9 2.210 3.222 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.743 2.294 -12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.047 2.604 -13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.109 3.624 -12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.139 3.359 -14.027 1.00 0.00 H new ATOM 109 N GLU A 10 2.792 3.580 -6.083 1.00 0.00 N ATOM 110 CA GLU A 10 3.915 2.806 -5.586 1.00 0.00 C ATOM 111 C GLU A 10 3.878 2.739 -4.058 1.00 0.00 C ATOM 112 O GLU A 10 4.125 1.685 -3.473 1.00 0.00 O ATOM 113 CB GLU A 10 5.243 3.387 -6.077 1.00 0.00 C ATOM 114 CG GLU A 10 5.721 2.671 -7.341 1.00 0.00 C ATOM 115 CD GLU A 10 7.169 2.201 -7.191 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.389 1.301 -6.351 1.00 0.00 O ATOM 117 OE2 GLU A 10 8.023 2.751 -7.919 1.00 0.00 O ATOM 0 H GLU A 10 3.048 4.446 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 10 3.833 1.792 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.125 4.451 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.996 3.293 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.077 1.816 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.640 3.342 -8.196 1.00 0.00 H new ATOM 124 N GLN A 11 3.569 3.876 -3.454 1.00 0.00 N ATOM 125 CA GLN A 11 3.496 3.960 -2.005 1.00 0.00 C ATOM 126 C GLN A 11 2.495 2.937 -1.465 1.00 0.00 C ATOM 127 O GLN A 11 2.773 2.249 -0.484 1.00 0.00 O ATOM 128 CB GLN A 11 3.131 5.375 -1.555 1.00 0.00 C ATOM 129 CG GLN A 11 4.170 6.389 -2.039 1.00 0.00 C ATOM 130 CD GLN A 11 4.304 7.551 -1.053 1.00 0.00 C ATOM 131 OE1 GLN A 11 5.065 7.505 -0.099 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.525 8.591 -1.332 1.00 0.00 N ATOM 0 H GLN A 11 3.366 4.748 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 11 4.480 3.728 -1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.148 5.642 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.064 5.409 -0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.135 5.897 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.882 6.770 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.911 8.565 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.541 9.416 -0.732 1.00 0.00 H new ATOM 141 N VAL A 12 1.349 2.870 -2.128 1.00 0.00 N ATOM 142 CA VAL A 12 0.305 1.943 -1.725 1.00 0.00 C ATOM 143 C VAL A 12 0.761 0.511 -2.015 1.00 0.00 C ATOM 144 O VAL A 12 0.593 -0.377 -1.182 1.00 0.00 O ATOM 145 CB VAL A 12 -1.010 2.303 -2.420 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.049 1.196 -2.234 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.544 3.647 -1.918 1.00 0.00 C ATOM 0 H VAL A 12 1.121 3.442 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 12 0.122 2.016 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.811 2.399 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.974 1.477 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.671 0.267 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.243 1.054 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.479 3.880 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.720 3.590 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.813 4.429 -2.125 1.00 0.00 H new ATOM 157 N LYS A 13 1.329 0.333 -3.199 1.00 0.00 N ATOM 158 CA LYS A 13 1.810 -0.975 -3.609 1.00 0.00 C ATOM 159 C LYS A 13 2.691 -1.560 -2.502 1.00 0.00 C ATOM 160 O LYS A 13 2.500 -2.704 -2.091 1.00 0.00 O ATOM 161 CB LYS A 13 2.506 -0.889 -4.967 1.00 0.00 C ATOM 162 CG LYS A 13 1.494 -0.996 -6.110 1.00 0.00 C ATOM 163 CD LYS A 13 1.992 -0.257 -7.355 1.00 0.00 C ATOM 164 CE LYS A 13 2.843 -1.175 -8.233 1.00 0.00 C ATOM 165 NZ LYS A 13 3.524 -0.394 -9.291 1.00 0.00 N ATOM 0 H LYS A 13 1.467 1.073 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 13 0.975 -1.661 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.047 0.054 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.243 -1.687 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.321 -2.045 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.538 -0.580 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.141 0.113 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.578 0.612 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.582 -1.691 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.214 -1.941 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.098 -1.032 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.813 0.079 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.140 0.321 -8.853 1.00 0.00 H new ATOM 179 N GLU A 14 3.635 -0.747 -2.052 1.00 0.00 N ATOM 180 CA GLU A 14 4.546 -1.169 -1.001 1.00 0.00 C ATOM 181 C GLU A 14 3.782 -1.400 0.304 1.00 0.00 C ATOM 182 O GLU A 14 4.119 -2.295 1.076 1.00 0.00 O ATOM 183 CB GLU A 14 5.669 -0.148 -0.806 1.00 0.00 C ATOM 184 CG GLU A 14 6.856 -0.457 -1.719 1.00 0.00 C ATOM 185 CD GLU A 14 8.164 0.054 -1.111 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.344 -0.158 0.108 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.953 0.645 -1.878 1.00 0.00 O ATOM 0 H GLU A 14 3.789 0.201 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 14 5.004 -2.111 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.295 0.854 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.995 -0.155 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.923 -1.533 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.699 0.005 -2.694 1.00 0.00 H new ATOM 194 N LEU A 15 2.765 -0.574 0.510 1.00 0.00 N ATOM 195 CA LEU A 15 1.949 -0.676 1.708 1.00 0.00 C ATOM 196 C LEU A 15 1.374 -2.090 1.809 1.00 0.00 C ATOM 197 O LEU A 15 1.705 -2.835 2.730 1.00 0.00 O ATOM 198 CB LEU A 15 0.886 0.423 1.728 1.00 0.00 C ATOM 199 CG LEU A 15 -0.446 0.056 2.385 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.316 0.022 3.909 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.562 0.998 1.927 1.00 0.00 C ATOM 0 H LEU A 15 2.488 0.168 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 15 2.557 -0.514 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.297 1.289 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.689 0.730 0.701 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.719 -0.949 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.277 -0.241 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.430 -0.720 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.008 1.003 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.498 0.715 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.309 2.022 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.676 0.929 0.845 1.00 0.00 H new ATOM 213 N PHE A 16 0.521 -2.417 0.850 1.00 0.00 N ATOM 214 CA PHE A 16 -0.104 -3.729 0.819 1.00 0.00 C ATOM 215 C PHE A 16 0.946 -4.839 0.903 1.00 0.00 C ATOM 216 O PHE A 16 0.756 -5.825 1.614 1.00 0.00 O ATOM 217 CB PHE A 16 -0.841 -3.842 -0.517 1.00 0.00 C ATOM 218 CG PHE A 16 -2.220 -3.181 -0.525 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.153 -3.540 0.398 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.515 -2.232 -1.455 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.433 -2.926 0.391 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.795 -1.618 -1.462 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.727 -1.978 -0.539 1.00 0.00 C ATOM 0 H PHE A 16 0.248 -1.796 0.088 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.779 -3.839 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.229 -3.390 -1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.953 -4.896 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.920 -4.293 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.775 -1.946 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.173 -3.212 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.029 -0.865 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.701 -1.511 -0.545 1.00 0.00 H new ATOM 233 N ASN A 17 2.031 -4.642 0.170 1.00 0.00 N ATOM 234 CA ASN A 17 3.110 -5.612 0.153 1.00 0.00 C ATOM 235 C ASN A 17 3.746 -5.686 1.543 1.00 0.00 C ATOM 236 O ASN A 17 4.109 -6.766 2.007 1.00 0.00 O ATOM 237 CB ASN A 17 4.199 -5.210 -0.844 1.00 0.00 C ATOM 238 CG ASN A 17 3.649 -5.175 -2.271 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.457 -5.063 -2.502 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.583 -5.277 -3.213 1.00 0.00 N ATOM 0 H ASN A 17 2.186 -3.823 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 17 2.692 -6.575 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.596 -4.230 -0.579 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.028 -5.916 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.318 -5.264 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.564 -5.368 -2.950 1.00 0.00 H new ATOM 247 N GLU A 18 3.862 -4.523 2.168 1.00 0.00 N ATOM 248 CA GLU A 18 4.447 -4.442 3.495 1.00 0.00 C ATOM 249 C GLU A 18 3.599 -5.226 4.498 1.00 0.00 C ATOM 250 O GLU A 18 4.131 -5.984 5.308 1.00 0.00 O ATOM 251 CB GLU A 18 4.609 -2.986 3.934 1.00 0.00 C ATOM 252 CG GLU A 18 5.709 -2.289 3.130 1.00 0.00 C ATOM 253 CD GLU A 18 6.969 -2.096 3.976 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.480 -3.122 4.474 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.393 -0.927 4.104 1.00 0.00 O ATOM 0 H GLU A 18 3.561 -3.629 1.779 1.00 0.00 H new ATOM 0 HA GLU A 18 5.440 -4.890 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.666 -2.456 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.850 -2.948 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.948 -2.880 2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.350 -1.321 2.780 1.00 0.00 H new ATOM 262 N LYS A 19 2.293 -5.017 4.411 1.00 0.00 N ATOM 263 CA LYS A 19 1.367 -5.695 5.302 1.00 0.00 C ATOM 264 C LYS A 19 1.518 -7.208 5.132 1.00 0.00 C ATOM 265 O LYS A 19 1.730 -7.927 6.106 1.00 0.00 O ATOM 266 CB LYS A 19 -0.060 -5.191 5.075 1.00 0.00 C ATOM 267 CG LYS A 19 -0.177 -3.705 5.420 1.00 0.00 C ATOM 268 CD LYS A 19 -0.151 -3.489 6.934 1.00 0.00 C ATOM 269 CE LYS A 19 -0.031 -2.002 7.275 1.00 0.00 C ATOM 270 NZ LYS A 19 1.007 -1.789 8.307 1.00 0.00 N ATOM 0 H LYS A 19 1.855 -4.388 3.738 1.00 0.00 H new ATOM 0 HA LYS A 19 1.601 -5.465 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.345 -5.350 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.755 -5.766 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.642 -3.155 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.103 -3.304 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.060 -3.895 7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.687 -4.034 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.219 -1.436 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.990 -1.626 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.075 -0.775 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.753 -2.313 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.924 -2.129 7.953 1.00 0.00 H new ATOM 284 N TYR A 20 1.401 -7.647 3.887 1.00 0.00 N ATOM 285 CA TYR A 20 1.522 -9.061 3.577 1.00 0.00 C ATOM 286 C TYR A 20 2.751 -9.668 4.255 1.00 0.00 C ATOM 287 O TYR A 20 2.647 -10.679 4.947 1.00 0.00 O ATOM 288 CB TYR A 20 1.697 -9.147 2.060 1.00 0.00 C ATOM 289 CG TYR A 20 1.079 -10.398 1.431 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.247 -10.702 1.661 1.00 0.00 C ATOM 291 CD2 TYR A 20 1.849 -11.221 0.635 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.829 -11.880 1.070 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.267 -12.399 0.044 1.00 0.00 C ATOM 294 CZ TYR A 20 -0.042 -12.670 0.291 1.00 0.00 C ATOM 295 OH TYR A 20 -0.591 -13.783 -0.267 1.00 0.00 O ATOM 0 H TYR A 20 1.224 -7.048 3.081 1.00 0.00 H new ATOM 0 HA TYR A 20 0.646 -9.607 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.250 -8.264 1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.761 -9.123 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.849 -10.057 2.284 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.887 -10.982 0.455 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.866 -12.130 1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.858 -13.052 -0.581 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.568 -13.730 -0.210 1.00 0.00 H new ATOM 305 N GLY A 21 3.887 -9.024 4.035 1.00 0.00 N ATOM 306 CA GLY A 21 5.136 -9.487 4.616 1.00 0.00 C ATOM 307 C GLY A 21 4.988 -9.717 6.121 1.00 0.00 C ATOM 308 O GLY A 21 5.277 -10.805 6.618 1.00 0.00 O ATOM 0 H GLY A 21 3.969 -8.184 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.445 -10.413 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.921 -8.753 4.432 1.00 0.00 H new ATOM 312 N GLU A 22 4.537 -8.676 6.805 1.00 0.00 N ATOM 313 CA GLU A 22 4.347 -8.751 8.243 1.00 0.00 C ATOM 314 C GLU A 22 3.375 -9.881 8.593 1.00 0.00 C ATOM 315 O GLU A 22 3.643 -10.679 9.489 1.00 0.00 O ATOM 316 CB GLU A 22 3.855 -7.414 8.802 1.00 0.00 C ATOM 317 CG GLU A 22 4.778 -6.270 8.377 1.00 0.00 C ATOM 318 CD GLU A 22 4.963 -5.264 9.516 1.00 0.00 C ATOM 319 OE1 GLU A 22 4.972 -5.720 10.679 1.00 0.00 O ATOM 320 OE2 GLU A 22 5.093 -4.063 9.195 1.00 0.00 O ATOM 0 H GLU A 22 4.298 -7.776 6.390 1.00 0.00 H new ATOM 0 HA GLU A 22 5.310 -8.969 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.842 -7.219 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.810 -7.465 9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.747 -6.671 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.361 -5.766 7.505 1.00 0.00 H new ATOM 327 N ALA A 23 2.268 -9.912 7.866 1.00 0.00 N ATOM 328 CA ALA A 23 1.256 -10.931 8.087 1.00 0.00 C ATOM 329 C ALA A 23 1.864 -12.311 7.834 1.00 0.00 C ATOM 330 O ALA A 23 1.479 -13.290 8.472 1.00 0.00 O ATOM 331 CB ALA A 23 0.047 -10.654 7.191 1.00 0.00 C ATOM 0 H ALA A 23 2.050 -9.248 7.123 1.00 0.00 H new ATOM 0 HA ALA A 23 0.908 -10.908 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.712 -11.419 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.367 -9.674 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.357 -10.671 6.146 1.00 0.00 H new ATOM 337 N LEU A 24 2.805 -12.346 6.901 1.00 0.00 N ATOM 338 CA LEU A 24 3.470 -13.591 6.556 1.00 0.00 C ATOM 339 C LEU A 24 4.446 -13.969 7.673 1.00 0.00 C ATOM 340 O LEU A 24 5.038 -15.047 7.646 1.00 0.00 O ATOM 341 CB LEU A 24 4.126 -13.485 5.178 1.00 0.00 C ATOM 342 CG LEU A 24 3.226 -13.800 3.981 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.839 -13.278 2.680 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.916 -15.297 3.908 1.00 0.00 C ATOM 0 H LEU A 24 3.122 -11.532 6.374 1.00 0.00 H new ATOM 0 HA LEU A 24 2.744 -14.401 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.514 -12.473 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.981 -14.160 5.152 1.00 0.00 H new ATOM 0 HG LEU A 24 2.278 -13.280 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.179 -13.515 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.966 -12.197 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.809 -13.749 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.275 -15.494 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.846 -15.856 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.406 -15.608 4.820 1.00 0.00 H new ATOM 356 N GLY A 25 4.583 -13.062 8.628 1.00 0.00 N ATOM 357 CA GLY A 25 5.477 -13.288 9.752 1.00 0.00 C ATOM 358 C GLY A 25 6.936 -13.076 9.342 1.00 0.00 C ATOM 359 O GLY A 25 7.848 -13.563 10.009 1.00 0.00 O ATOM 0 H GLY A 25 4.090 -12.169 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.222 -12.610 10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.345 -14.302 10.128 1.00 0.00 H new ATOM 363 N LEU A 26 7.111 -12.351 8.247 1.00 0.00 N ATOM 364 CA LEU A 26 8.444 -12.071 7.741 1.00 0.00 C ATOM 365 C LEU A 26 8.874 -10.674 8.195 1.00 0.00 C ATOM 366 O LEU A 26 8.164 -10.020 8.958 1.00 0.00 O ATOM 367 CB LEU A 26 8.493 -12.266 6.225 1.00 0.00 C ATOM 368 CG LEU A 26 7.697 -13.451 5.675 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.854 -13.560 4.157 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.083 -14.749 6.387 1.00 0.00 C ATOM 0 H LEU A 26 6.352 -11.949 7.696 1.00 0.00 H new ATOM 0 HA LEU A 26 9.164 -12.777 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.127 -11.356 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.535 -12.384 5.927 1.00 0.00 H new ATOM 0 HG LEU A 26 6.640 -13.276 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.278 -14.410 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.490 -12.646 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.906 -13.701 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.502 -15.575 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.145 -14.943 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.877 -14.654 7.453 1.00 0.00 H new ATOM 382 N ASN A 27 10.033 -10.258 7.707 1.00 0.00 N ATOM 383 CA ASN A 27 10.565 -8.951 8.053 1.00 0.00 C ATOM 384 C ASN A 27 10.816 -8.152 6.772 1.00 0.00 C ATOM 385 O ASN A 27 11.608 -7.212 6.769 1.00 0.00 O ATOM 386 CB ASN A 27 11.896 -9.078 8.800 1.00 0.00 C ATOM 387 CG ASN A 27 11.825 -8.391 10.165 1.00 0.00 C ATOM 388 OD1 ASN A 27 12.497 -7.407 10.429 1.00 0.00 O ATOM 389 ND2 ASN A 27 10.978 -8.962 11.015 1.00 0.00 N ATOM 0 H ASN A 27 10.619 -10.803 7.075 1.00 0.00 H new ATOM 0 HA ASN A 27 9.839 -8.450 8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.145 -10.131 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.695 -8.634 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.860 -8.578 11.953 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.446 -9.784 10.730 1.00 0.00 H new ATOM 396 N ARG A 28 10.126 -8.556 5.716 1.00 0.00 N ATOM 397 CA ARG A 28 10.263 -7.889 4.433 1.00 0.00 C ATOM 398 C ARG A 28 8.917 -7.848 3.709 1.00 0.00 C ATOM 399 O ARG A 28 8.055 -8.694 3.943 1.00 0.00 O ATOM 400 CB ARG A 28 11.289 -8.603 3.549 1.00 0.00 C ATOM 401 CG ARG A 28 10.964 -10.093 3.427 1.00 0.00 C ATOM 402 CD ARG A 28 12.106 -10.849 2.745 1.00 0.00 C ATOM 403 NE ARG A 28 13.071 -11.328 3.758 1.00 0.00 N ATOM 404 CZ ARG A 28 12.870 -12.397 4.542 1.00 0.00 C ATOM 405 NH1 ARG A 28 11.736 -13.102 4.433 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.802 -12.759 5.434 1.00 0.00 N ATOM 0 H ARG A 28 9.470 -9.337 5.723 1.00 0.00 H new ATOM 0 HA ARG A 28 10.607 -6.872 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.301 -8.147 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.287 -8.478 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.786 -10.512 4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.045 -10.223 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.709 -11.693 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.609 -10.197 2.031 1.00 0.00 H new ATOM 0 HE ARG A 28 13.944 -10.813 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.027 -12.825 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.582 -13.915 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.665 -12.221 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.649 -13.572 6.030 1.00 0.00 H new ATOM 420 N PRO A 29 8.772 -6.827 2.822 1.00 0.00 N ATOM 421 CA PRO A 29 7.544 -6.664 2.062 1.00 0.00 C ATOM 422 C PRO A 29 7.452 -7.700 0.939 1.00 0.00 C ATOM 423 O PRO A 29 8.436 -7.960 0.248 1.00 0.00 O ATOM 424 CB PRO A 29 7.586 -5.234 1.549 1.00 0.00 C ATOM 425 CG PRO A 29 9.039 -4.799 1.645 1.00 0.00 C ATOM 426 CD PRO A 29 9.771 -5.805 2.519 1.00 0.00 C ATOM 0 HA PRO A 29 6.651 -6.831 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.229 -5.177 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.944 -4.586 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.490 -4.755 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.110 -3.799 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.629 -6.231 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.149 -5.338 3.429 1.00 0.00 H new ATOM 434 N VAL A 30 6.261 -8.262 0.792 1.00 0.00 N ATOM 435 CA VAL A 30 6.028 -9.262 -0.235 1.00 0.00 C ATOM 436 C VAL A 30 4.784 -8.881 -1.041 1.00 0.00 C ATOM 437 O VAL A 30 3.807 -8.385 -0.481 1.00 0.00 O ATOM 438 CB VAL A 30 5.926 -10.651 0.401 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.524 -11.701 -0.637 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.237 -11.035 1.091 1.00 0.00 C ATOM 0 H VAL A 30 5.447 -8.044 1.367 1.00 0.00 H new ATOM 0 HA VAL A 30 6.867 -9.297 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 30 5.145 -10.616 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.459 -12.679 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.555 -11.440 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.271 -11.734 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.138 -12.026 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.044 -11.044 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.464 -10.309 1.872 1.00 0.00 H new ATOM 450 N LEU A 31 4.862 -9.127 -2.339 1.00 0.00 N ATOM 451 CA LEU A 31 3.754 -8.815 -3.227 1.00 0.00 C ATOM 452 C LEU A 31 2.517 -9.601 -2.787 1.00 0.00 C ATOM 453 O LEU A 31 2.636 -10.698 -2.244 1.00 0.00 O ATOM 454 CB LEU A 31 4.151 -9.058 -4.685 1.00 0.00 C ATOM 455 CG LEU A 31 4.841 -7.891 -5.396 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.695 -8.389 -6.563 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.823 -6.839 -5.838 1.00 0.00 C ATOM 0 H LEU A 31 5.674 -9.539 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 31 3.500 -7.757 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.814 -9.923 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.254 -9.320 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 31 5.514 -7.409 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.174 -7.540 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.458 -9.072 -6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.062 -8.910 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.340 -6.021 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.107 -7.291 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.296 -6.454 -4.965 1.00 0.00 H new ATOM 469 N VAL A 32 1.359 -9.009 -3.039 1.00 0.00 N ATOM 470 CA VAL A 32 0.101 -9.640 -2.676 1.00 0.00 C ATOM 471 C VAL A 32 -0.516 -10.288 -3.917 1.00 0.00 C ATOM 472 O VAL A 32 -0.781 -9.611 -4.909 1.00 0.00 O ATOM 473 CB VAL A 32 -0.825 -8.618 -2.012 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.211 -9.215 -1.765 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.215 -8.090 -0.713 1.00 0.00 C ATOM 0 H VAL A 32 1.265 -8.099 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 32 0.267 -10.431 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.940 -7.776 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.850 -8.469 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.650 -9.520 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.122 -10.083 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.893 -7.366 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.056 -8.918 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.739 -7.609 -0.928 1.00 0.00 H new ATOM 485 N PRO A 33 -0.733 -11.627 -3.818 1.00 0.00 N ATOM 486 CA PRO A 33 -1.314 -12.374 -4.921 1.00 0.00 C ATOM 487 C PRO A 33 -2.816 -12.104 -5.034 1.00 0.00 C ATOM 488 O PRO A 33 -3.630 -12.991 -4.782 1.00 0.00 O ATOM 489 CB PRO A 33 -0.993 -13.830 -4.623 1.00 0.00 C ATOM 490 CG PRO A 33 -0.653 -13.887 -3.142 1.00 0.00 C ATOM 491 CD PRO A 33 -0.431 -12.462 -2.659 1.00 0.00 C ATOM 0 HA PRO A 33 -0.907 -12.081 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.843 -14.472 -4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.157 -14.178 -5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.461 -14.358 -2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.241 -14.489 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.082 -12.223 -1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.594 -12.314 -2.320 1.00 0.00 H new ATOM 499 N TYR A 34 -3.137 -10.877 -5.415 1.00 0.00 N ATOM 500 CA TYR A 34 -4.526 -10.479 -5.567 1.00 0.00 C ATOM 501 C TYR A 34 -5.285 -11.464 -6.458 1.00 0.00 C ATOM 502 O TYR A 34 -6.387 -11.892 -6.120 1.00 0.00 O ATOM 503 CB TYR A 34 -4.502 -9.109 -6.245 1.00 0.00 C ATOM 504 CG TYR A 34 -3.598 -8.087 -5.553 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.072 -7.366 -4.475 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.310 -7.885 -6.005 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.222 -6.404 -3.821 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.461 -6.922 -5.353 1.00 0.00 C ATOM 509 CZ TYR A 34 -1.958 -6.230 -4.293 1.00 0.00 C ATOM 510 OH TYR A 34 -1.156 -5.321 -3.677 1.00 0.00 O ATOM 0 H TYR A 34 -2.459 -10.144 -5.623 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.026 -10.456 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.171 -9.231 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.518 -8.715 -6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.080 -7.523 -4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.939 -8.449 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.580 -5.834 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.452 -6.753 -5.698 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.282 -5.303 -4.119 1.00 0.00 H new ATOM 520 N LYS A 35 -4.664 -11.795 -7.581 1.00 0.00 N ATOM 521 CA LYS A 35 -5.267 -12.722 -8.524 1.00 0.00 C ATOM 522 C LYS A 35 -5.809 -13.935 -7.766 1.00 0.00 C ATOM 523 O LYS A 35 -6.934 -14.370 -8.006 1.00 0.00 O ATOM 524 CB LYS A 35 -4.274 -13.081 -9.631 1.00 0.00 C ATOM 525 CG LYS A 35 -4.454 -12.172 -10.847 1.00 0.00 C ATOM 526 CD LYS A 35 -3.381 -11.082 -10.881 1.00 0.00 C ATOM 527 CE LYS A 35 -3.099 -10.634 -12.317 1.00 0.00 C ATOM 528 NZ LYS A 35 -2.648 -9.225 -12.341 1.00 0.00 N ATOM 0 H LYS A 35 -3.750 -11.438 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.115 -12.256 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.255 -12.991 -9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.414 -14.121 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.403 -12.766 -11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.442 -11.713 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.706 -10.228 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.464 -11.456 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.336 -11.274 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.999 -10.744 -12.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.461 -8.937 -13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.388 -8.617 -11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.777 -9.130 -11.780 1.00 0.00 H new ATOM 542 N LEU A 36 -4.983 -14.446 -6.864 1.00 0.00 N ATOM 543 CA LEU A 36 -5.365 -15.600 -6.069 1.00 0.00 C ATOM 544 C LEU A 36 -6.449 -15.189 -5.070 1.00 0.00 C ATOM 545 O LEU A 36 -7.597 -15.616 -5.183 1.00 0.00 O ATOM 546 CB LEU A 36 -4.135 -16.232 -5.416 1.00 0.00 C ATOM 547 CG LEU A 36 -3.169 -16.950 -6.361 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.891 -17.364 -5.627 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.849 -18.140 -7.041 1.00 0.00 C ATOM 0 H LEU A 36 -4.051 -14.082 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.793 -16.375 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.585 -15.451 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.473 -16.945 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.879 -16.253 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.221 -17.872 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.397 -16.478 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.144 -18.037 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.140 -18.632 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.187 -18.847 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.705 -17.789 -7.617 1.00 0.00 H new ATOM 561 N ILE A 37 -6.046 -14.365 -4.114 1.00 0.00 N ATOM 562 CA ILE A 37 -6.968 -13.892 -3.096 1.00 0.00 C ATOM 563 C ILE A 37 -8.321 -13.582 -3.743 1.00 0.00 C ATOM 564 O ILE A 37 -9.368 -13.798 -3.135 1.00 0.00 O ATOM 565 CB ILE A 37 -6.367 -12.708 -2.336 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.102 -13.128 -1.583 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.401 -12.069 -1.407 1.00 0.00 C ATOM 568 CD1 ILE A 37 -3.996 -12.083 -1.745 1.00 0.00 C ATOM 0 H ILE A 37 -5.093 -14.013 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.140 -14.667 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.075 -11.949 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.331 -13.260 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.755 -14.091 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.947 -11.230 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.247 -11.713 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.747 -12.808 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.108 -12.405 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.753 -11.971 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.338 -11.127 -1.348 1.00 0.00 H new ATOM 580 N ARG A 38 -8.254 -13.081 -4.968 1.00 0.00 N ATOM 581 CA ARG A 38 -9.460 -12.740 -5.703 1.00 0.00 C ATOM 582 C ARG A 38 -10.345 -13.977 -5.874 1.00 0.00 C ATOM 583 O ARG A 38 -11.517 -13.962 -5.503 1.00 0.00 O ATOM 584 CB ARG A 38 -9.121 -12.170 -7.081 1.00 0.00 C ATOM 585 CG ARG A 38 -10.368 -11.597 -7.760 1.00 0.00 C ATOM 586 CD ARG A 38 -10.413 -10.074 -7.629 1.00 0.00 C ATOM 587 NE ARG A 38 -10.265 -9.447 -8.962 1.00 0.00 N ATOM 588 CZ ARG A 38 -11.183 -9.525 -9.935 1.00 0.00 C ATOM 589 NH1 ARG A 38 -12.322 -10.201 -9.729 1.00 0.00 N ATOM 590 NH2 ARG A 38 -10.964 -8.924 -11.113 1.00 0.00 N ATOM 0 H ARG A 38 -7.384 -12.903 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.995 -11.983 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.367 -11.390 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.689 -12.952 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.373 -11.875 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.262 -12.031 -7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.356 -9.767 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.616 -9.734 -6.967 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.411 -8.923 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.490 -10.656 -8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.021 -10.260 -10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.098 -8.407 -11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.663 -8.983 -11.854 1.00 0.00 H new ATOM 604 N ASP A 39 -9.749 -15.018 -6.436 1.00 0.00 N ATOM 605 CA ASP A 39 -10.468 -16.260 -6.661 1.00 0.00 C ATOM 606 C ASP A 39 -10.648 -16.989 -5.328 1.00 0.00 C ATOM 607 O ASP A 39 -11.641 -17.687 -5.126 1.00 0.00 O ATOM 608 CB ASP A 39 -9.693 -17.183 -7.604 1.00 0.00 C ATOM 609 CG ASP A 39 -10.430 -18.460 -8.010 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.677 -18.447 -7.924 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.730 -19.421 -8.395 1.00 0.00 O ATOM 0 H ASP A 39 -8.776 -15.027 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.432 -16.015 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.439 -16.626 -8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.754 -17.460 -7.126 1.00 0.00 H new ATOM 616 N SER A 40 -9.671 -16.803 -4.452 1.00 0.00 N ATOM 617 CA SER A 40 -9.708 -17.434 -3.144 1.00 0.00 C ATOM 618 C SER A 40 -9.845 -16.370 -2.053 1.00 0.00 C ATOM 619 O SER A 40 -8.850 -15.800 -1.609 1.00 0.00 O ATOM 620 CB SER A 40 -8.457 -18.281 -2.905 1.00 0.00 C ATOM 621 OG SER A 40 -8.450 -18.869 -1.607 1.00 0.00 O ATOM 0 H SER A 40 -8.849 -16.224 -4.623 1.00 0.00 H new ATOM 0 HA SER A 40 -10.574 -18.095 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.401 -19.066 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.570 -17.659 -3.026 1.00 0.00 H new ATOM 0 HG SER A 40 -9.372 -18.986 -1.296 1.00 0.00 H new ATOM 627 N PRO A 41 -11.119 -16.129 -1.642 1.00 0.00 N ATOM 628 CA PRO A 41 -11.399 -15.143 -0.611 1.00 0.00 C ATOM 629 C PRO A 41 -11.015 -15.673 0.772 1.00 0.00 C ATOM 630 O PRO A 41 -10.953 -14.912 1.736 1.00 0.00 O ATOM 631 CB PRO A 41 -12.884 -14.847 -0.744 1.00 0.00 C ATOM 632 CG PRO A 41 -13.473 -16.010 -1.527 1.00 0.00 C ATOM 633 CD PRO A 41 -12.322 -16.786 -2.145 1.00 0.00 C ATOM 0 HA PRO A 41 -10.813 -14.231 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.354 -14.758 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.049 -13.903 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.059 -16.654 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.148 -15.646 -2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.351 -17.836 -1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.364 -16.756 -3.234 1.00 0.00 H new ATOM 641 N ASP A 42 -10.769 -16.974 0.826 1.00 0.00 N ATOM 642 CA ASP A 42 -10.393 -17.614 2.075 1.00 0.00 C ATOM 643 C ASP A 42 -8.901 -17.951 2.041 1.00 0.00 C ATOM 644 O ASP A 42 -8.505 -19.061 2.390 1.00 0.00 O ATOM 645 CB ASP A 42 -11.168 -18.916 2.281 1.00 0.00 C ATOM 646 CG ASP A 42 -10.960 -19.972 1.194 1.00 0.00 C ATOM 647 OD1 ASP A 42 -10.221 -19.661 0.235 1.00 0.00 O ATOM 648 OD2 ASP A 42 -11.545 -21.066 1.345 1.00 0.00 O ATOM 0 H ASP A 42 -10.823 -17.602 0.024 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.621 -16.926 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.881 -19.344 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.231 -18.683 2.341 1.00 0.00 H new ATOM 653 N ALA A 43 -8.115 -16.973 1.618 1.00 0.00 N ATOM 654 CA ALA A 43 -6.675 -17.152 1.534 1.00 0.00 C ATOM 655 C ALA A 43 -5.987 -16.161 2.475 1.00 0.00 C ATOM 656 O ALA A 43 -5.152 -16.550 3.291 1.00 0.00 O ATOM 657 CB ALA A 43 -6.224 -16.988 0.083 1.00 0.00 C ATOM 0 H ALA A 43 -8.448 -16.053 1.329 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.394 -18.156 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.144 -17.122 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.719 -17.734 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.487 -15.990 -0.269 1.00 0.00 H new ATOM 663 N VAL A 44 -6.363 -14.898 2.331 1.00 0.00 N ATOM 664 CA VAL A 44 -5.792 -13.848 3.157 1.00 0.00 C ATOM 665 C VAL A 44 -6.884 -12.842 3.521 1.00 0.00 C ATOM 666 O VAL A 44 -7.732 -12.513 2.693 1.00 0.00 O ATOM 667 CB VAL A 44 -4.602 -13.207 2.439 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.179 -11.910 3.132 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.430 -14.183 2.341 1.00 0.00 C ATOM 0 H VAL A 44 -7.056 -14.579 1.654 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.407 -14.261 4.089 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.916 -12.959 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.332 -11.474 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.011 -11.206 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.892 -12.124 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.598 -13.702 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.116 -14.477 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.739 -15.067 1.784 1.00 0.00 H new ATOM 679 N GLU A 45 -6.829 -12.379 4.762 1.00 0.00 N ATOM 680 CA GLU A 45 -7.803 -11.416 5.246 1.00 0.00 C ATOM 681 C GLU A 45 -7.207 -10.007 5.236 1.00 0.00 C ATOM 682 O GLU A 45 -6.086 -9.800 5.697 1.00 0.00 O ATOM 683 CB GLU A 45 -8.298 -11.792 6.644 1.00 0.00 C ATOM 684 CG GLU A 45 -9.004 -10.611 7.312 1.00 0.00 C ATOM 685 CD GLU A 45 -8.231 -10.134 8.542 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.313 -10.836 9.574 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.573 -9.077 8.425 1.00 0.00 O ATOM 0 H GLU A 45 -6.124 -12.653 5.447 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.663 -11.430 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.982 -12.638 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.456 -12.111 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.102 -9.792 6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.013 -10.903 7.603 1.00 0.00 H new ATOM 694 N VAL A 46 -7.984 -9.075 4.706 1.00 0.00 N ATOM 695 CA VAL A 46 -7.547 -7.690 4.629 1.00 0.00 C ATOM 696 C VAL A 46 -8.528 -6.806 5.403 1.00 0.00 C ATOM 697 O VAL A 46 -9.734 -6.861 5.170 1.00 0.00 O ATOM 698 CB VAL A 46 -7.389 -7.271 3.166 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.172 -5.761 3.049 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.253 -8.043 2.493 1.00 0.00 C ATOM 0 H VAL A 46 -8.914 -9.251 4.325 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.568 -7.572 5.093 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.314 -7.518 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.063 -5.489 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.029 -5.236 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.270 -5.480 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.163 -7.726 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.318 -7.843 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.468 -9.111 2.529 1.00 0.00 H new ATOM 710 N THR A 47 -7.973 -6.014 6.308 1.00 0.00 N ATOM 711 CA THR A 47 -8.784 -5.120 7.117 1.00 0.00 C ATOM 712 C THR A 47 -8.025 -3.822 7.400 1.00 0.00 C ATOM 713 O THR A 47 -6.826 -3.730 7.144 1.00 0.00 O ATOM 714 CB THR A 47 -9.196 -5.872 8.384 1.00 0.00 C ATOM 715 OG1 THR A 47 -8.039 -6.627 8.731 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.265 -6.933 8.113 1.00 0.00 C ATOM 0 H THR A 47 -6.972 -5.973 6.499 1.00 0.00 H new ATOM 0 HA THR A 47 -9.690 -4.822 6.590 1.00 0.00 H new ATOM 0 HB THR A 47 -9.568 -5.162 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.244 -7.584 8.675 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.522 -7.437 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.155 -6.456 7.701 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.881 -7.662 7.400 1.00 0.00 H new ATOM 724 N GLY A 48 -8.756 -2.850 7.927 1.00 0.00 N ATOM 725 CA GLY A 48 -8.168 -1.561 8.249 1.00 0.00 C ATOM 726 C GLY A 48 -8.371 -0.565 7.106 1.00 0.00 C ATOM 727 O GLY A 48 -8.318 0.646 7.316 1.00 0.00 O ATOM 0 H GLY A 48 -9.751 -2.930 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.618 -1.170 9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.103 -1.682 8.446 1.00 0.00 H new ATOM 731 N LEU A 49 -8.600 -1.111 5.920 1.00 0.00 N ATOM 732 CA LEU A 49 -8.812 -0.286 4.744 1.00 0.00 C ATOM 733 C LEU A 49 -9.845 0.796 5.064 1.00 0.00 C ATOM 734 O LEU A 49 -10.568 0.696 6.055 1.00 0.00 O ATOM 735 CB LEU A 49 -9.184 -1.153 3.540 1.00 0.00 C ATOM 736 CG LEU A 49 -8.013 -1.726 2.738 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.511 -2.629 1.609 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.104 -0.609 2.221 1.00 0.00 C ATOM 0 H LEU A 49 -8.643 -2.116 5.749 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.890 0.225 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.799 -1.982 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.803 -0.559 2.867 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.414 -2.346 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.659 -3.023 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.083 -3.456 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.146 -2.053 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.280 -1.043 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.677 0.057 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.707 -0.044 3.064 1.00 0.00 H new ATOM 750 N PRO A 50 -9.884 1.833 4.186 1.00 0.00 N ATOM 751 CA PRO A 50 -10.816 2.932 4.365 1.00 0.00 C ATOM 752 C PRO A 50 -12.238 2.513 3.986 1.00 0.00 C ATOM 753 O PRO A 50 -12.428 1.694 3.087 1.00 0.00 O ATOM 754 CB PRO A 50 -10.276 4.054 3.493 1.00 0.00 C ATOM 755 CG PRO A 50 -9.329 3.393 2.504 1.00 0.00 C ATOM 756 CD PRO A 50 -9.043 1.986 3.001 1.00 0.00 C ATOM 0 HA PRO A 50 -10.890 3.254 5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.084 4.570 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.755 4.800 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.775 3.363 1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.404 3.964 2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.287 1.241 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.988 1.859 3.245 1.00 0.00 H new ATOM 764 N ASP A 51 -13.199 3.093 4.689 1.00 0.00 N ATOM 765 CA ASP A 51 -14.598 2.789 4.438 1.00 0.00 C ATOM 766 C ASP A 51 -14.955 3.198 3.007 1.00 0.00 C ATOM 767 O ASP A 51 -14.443 4.194 2.496 1.00 0.00 O ATOM 768 CB ASP A 51 -15.510 3.562 5.392 1.00 0.00 C ATOM 769 CG ASP A 51 -15.154 5.039 5.572 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.661 5.628 4.586 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.383 5.546 6.692 1.00 0.00 O ATOM 0 H ASP A 51 -13.037 3.772 5.433 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.743 1.719 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.535 3.493 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.485 3.076 6.368 1.00 0.00 H new ATOM 776 N ASP A 52 -15.831 2.411 2.401 1.00 0.00 N ATOM 777 CA ASP A 52 -16.262 2.680 1.040 1.00 0.00 C ATOM 778 C ASP A 52 -15.108 2.394 0.078 1.00 0.00 C ATOM 779 O ASP A 52 -14.969 3.061 -0.947 1.00 0.00 O ATOM 780 CB ASP A 52 -16.669 4.144 0.870 1.00 0.00 C ATOM 781 CG ASP A 52 -17.695 4.407 -0.235 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.120 3.414 -0.862 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.031 5.596 -0.426 1.00 0.00 O ATOM 0 H ASP A 52 -16.254 1.587 2.827 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.119 2.041 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.075 4.504 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.775 4.732 0.662 1.00 0.00 H new ATOM 788 N ILE A 53 -14.308 1.403 0.442 1.00 0.00 N ATOM 789 CA ILE A 53 -13.169 1.021 -0.376 1.00 0.00 C ATOM 790 C ILE A 53 -12.861 -0.461 -0.154 1.00 0.00 C ATOM 791 O ILE A 53 -12.546 -0.873 0.961 1.00 0.00 O ATOM 792 CB ILE A 53 -11.980 1.944 -0.103 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.338 3.402 -0.399 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.743 1.489 -0.880 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.119 4.311 -0.229 1.00 0.00 C ATOM 0 H ILE A 53 -14.426 0.853 1.293 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.402 1.143 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.736 1.881 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.721 3.487 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.135 3.728 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.912 2.162 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.476 0.476 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.959 1.504 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.401 5.342 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.754 4.242 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.333 3.998 -0.916 1.00 0.00 H new ATOM 807 N PRO A 54 -12.965 -1.242 -1.262 1.00 0.00 N ATOM 808 CA PRO A 54 -12.702 -2.669 -1.200 1.00 0.00 C ATOM 809 C PRO A 54 -11.200 -2.946 -1.105 1.00 0.00 C ATOM 810 O PRO A 54 -10.418 -2.050 -0.789 1.00 0.00 O ATOM 811 CB PRO A 54 -13.333 -3.242 -2.459 1.00 0.00 C ATOM 812 CG PRO A 54 -13.518 -2.066 -3.404 1.00 0.00 C ATOM 813 CD PRO A 54 -13.336 -0.788 -2.600 1.00 0.00 C ATOM 0 HA PRO A 54 -13.126 -3.136 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.694 -4.004 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.288 -3.718 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.793 -2.112 -4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.509 -2.093 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.561 -0.155 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.253 -0.200 -2.578 1.00 0.00 H new ATOM 821 N PHE A 55 -10.841 -4.190 -1.384 1.00 0.00 N ATOM 822 CA PHE A 55 -9.446 -4.595 -1.334 1.00 0.00 C ATOM 823 C PHE A 55 -9.029 -5.286 -2.633 1.00 0.00 C ATOM 824 O PHE A 55 -9.254 -6.484 -2.805 1.00 0.00 O ATOM 825 CB PHE A 55 -9.310 -5.587 -0.176 1.00 0.00 C ATOM 826 CG PHE A 55 -8.078 -6.489 -0.271 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.835 -5.962 -0.106 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.225 -7.818 -0.520 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.691 -6.798 -0.194 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.081 -8.654 -0.608 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.838 -8.128 -0.443 1.00 0.00 C ATOM 0 H PHE A 55 -11.491 -4.931 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.809 -3.721 -1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.270 -5.032 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.203 -6.211 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.718 -4.907 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.212 -8.237 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.704 -6.379 -0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.198 -9.709 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.968 -8.765 -0.509 1.00 0.00 H new ATOM 841 N ARG A 56 -8.427 -4.503 -3.516 1.00 0.00 N ATOM 842 CA ARG A 56 -7.977 -5.024 -4.796 1.00 0.00 C ATOM 843 C ARG A 56 -6.642 -4.387 -5.188 1.00 0.00 C ATOM 844 O ARG A 56 -6.107 -3.557 -4.454 1.00 0.00 O ATOM 845 CB ARG A 56 -9.006 -4.753 -5.894 1.00 0.00 C ATOM 846 CG ARG A 56 -10.424 -5.058 -5.405 1.00 0.00 C ATOM 847 CD ARG A 56 -10.719 -6.558 -5.481 1.00 0.00 C ATOM 848 NE ARG A 56 -12.168 -6.798 -5.303 1.00 0.00 N ATOM 849 CZ ARG A 56 -12.767 -6.923 -4.111 1.00 0.00 C ATOM 850 NH1 ARG A 56 -12.047 -6.833 -2.985 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.089 -7.140 -4.045 1.00 0.00 N ATOM 0 H ARG A 56 -8.240 -3.511 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.852 -6.102 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.942 -3.711 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.780 -5.364 -6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.541 -4.712 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.147 -4.510 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.392 -6.953 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.157 -7.087 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.747 -6.873 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.041 -6.669 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.504 -6.928 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.638 -7.210 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.546 -7.235 -3.138 1.00 0.00 H new ATOM 865 N ASN A 57 -6.143 -4.799 -6.343 1.00 0.00 N ATOM 866 CA ASN A 57 -4.882 -4.279 -6.842 1.00 0.00 C ATOM 867 C ASN A 57 -4.801 -2.780 -6.549 1.00 0.00 C ATOM 868 O ASN A 57 -5.741 -2.037 -6.829 1.00 0.00 O ATOM 869 CB ASN A 57 -4.767 -4.471 -8.356 1.00 0.00 C ATOM 870 CG ASN A 57 -3.431 -5.119 -8.726 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.541 -5.279 -7.907 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.342 -5.482 -10.002 1.00 0.00 N ATOM 0 H ASN A 57 -6.590 -5.488 -6.948 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.076 -4.820 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.588 -5.094 -8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.859 -3.507 -8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.490 -5.924 -10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.125 -5.319 -10.635 1.00 0.00 H new ATOM 879 N PRO A 58 -3.640 -2.369 -5.971 1.00 0.00 N ATOM 880 CA PRO A 58 -3.425 -0.971 -5.636 1.00 0.00 C ATOM 881 C PRO A 58 -3.135 -0.145 -6.890 1.00 0.00 C ATOM 882 O PRO A 58 -3.270 1.078 -6.878 1.00 0.00 O ATOM 883 CB PRO A 58 -2.270 -0.977 -4.648 1.00 0.00 C ATOM 884 CG PRO A 58 -1.580 -2.320 -4.822 1.00 0.00 C ATOM 885 CD PRO A 58 -2.506 -3.220 -5.624 1.00 0.00 C ATOM 0 HA PRO A 58 -4.306 -0.503 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.582 -0.156 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.629 -0.852 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.628 -2.196 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.361 -2.765 -3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.011 -3.603 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.823 -4.084 -5.039 1.00 0.00 H new ATOM 893 N ASN A 59 -2.741 -0.846 -7.944 1.00 0.00 N ATOM 894 CA ASN A 59 -2.431 -0.192 -9.205 1.00 0.00 C ATOM 895 C ASN A 59 -3.708 -0.068 -10.038 1.00 0.00 C ATOM 896 O ASN A 59 -3.855 -0.738 -11.058 1.00 0.00 O ATOM 897 CB ASN A 59 -1.417 -1.005 -10.011 1.00 0.00 C ATOM 898 CG ASN A 59 -1.817 -2.480 -10.068 1.00 0.00 C ATOM 899 OD1 ASN A 59 -2.977 -2.830 -10.204 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.794 -3.323 -9.955 1.00 0.00 N ATOM 0 H ASN A 59 -2.629 -1.860 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.012 0.789 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.346 -0.605 -11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.429 -0.910 -9.561 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.957 -4.330 -9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.154 -2.963 -9.843 1.00 0.00 H new ATOM 907 N THR A 60 -4.600 0.794 -9.571 1.00 0.00 N ATOM 908 CA THR A 60 -5.859 1.014 -10.260 1.00 0.00 C ATOM 909 C THR A 60 -6.711 2.033 -9.502 1.00 0.00 C ATOM 910 O THR A 60 -7.416 2.837 -10.113 1.00 0.00 O ATOM 911 CB THR A 60 -6.546 -0.341 -10.435 1.00 0.00 C ATOM 912 OG1 THR A 60 -7.932 -0.020 -10.520 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.441 -1.216 -9.185 1.00 0.00 C ATOM 0 H THR A 60 -4.475 1.348 -8.724 1.00 0.00 H new ATOM 0 HA THR A 60 -5.698 1.443 -11.249 1.00 0.00 H new ATOM 0 HB THR A 60 -6.104 -0.865 -11.283 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.452 -0.843 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.945 -2.166 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.391 -1.399 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.912 -0.707 -8.344 1.00 0.00 H new ATOM 921 N TYR A 61 -6.620 1.969 -8.182 1.00 0.00 N ATOM 922 CA TYR A 61 -7.372 2.876 -7.333 1.00 0.00 C ATOM 923 C TYR A 61 -7.260 4.317 -7.836 1.00 0.00 C ATOM 924 O TYR A 61 -6.504 4.597 -8.765 1.00 0.00 O ATOM 925 CB TYR A 61 -6.737 2.781 -5.945 1.00 0.00 C ATOM 926 CG TYR A 61 -7.063 1.487 -5.198 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.369 1.045 -5.121 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.053 0.760 -4.603 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.677 -0.174 -4.418 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.361 -0.459 -3.900 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.657 -0.866 -3.842 1.00 0.00 C ATOM 932 OH TYR A 61 -7.947 -2.017 -3.178 1.00 0.00 O ATOM 0 H TYR A 61 -6.035 1.301 -7.679 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.429 2.608 -7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.655 2.868 -6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.070 3.628 -5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.160 1.613 -5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.031 1.105 -4.664 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.694 -0.530 -4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.580 -1.037 -3.429 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.127 -2.540 -3.056 1.00 0.00 H new ATOM 942 N ASP A 62 -8.023 5.193 -7.199 1.00 0.00 N ATOM 943 CA ASP A 62 -8.018 6.598 -7.568 1.00 0.00 C ATOM 944 C ASP A 62 -7.312 7.406 -6.479 1.00 0.00 C ATOM 945 O ASP A 62 -7.066 6.898 -5.385 1.00 0.00 O ATOM 946 CB ASP A 62 -9.444 7.135 -7.706 1.00 0.00 C ATOM 947 CG ASP A 62 -10.409 6.223 -8.464 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.535 5.054 -8.041 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.000 6.715 -9.451 1.00 0.00 O ATOM 0 H ASP A 62 -8.649 4.957 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.502 6.694 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.846 7.315 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.405 8.099 -8.213 1.00 0.00 H new ATOM 954 N ILE A 63 -7.004 8.650 -6.814 1.00 0.00 N ATOM 955 CA ILE A 63 -6.331 9.534 -5.877 1.00 0.00 C ATOM 956 C ILE A 63 -6.901 9.313 -4.475 1.00 0.00 C ATOM 957 O ILE A 63 -6.227 8.762 -3.605 1.00 0.00 O ATOM 958 CB ILE A 63 -6.414 10.985 -6.353 1.00 0.00 C ATOM 959 CG1 ILE A 63 -5.197 11.354 -7.204 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.601 11.940 -5.172 1.00 0.00 C ATOM 961 CD1 ILE A 63 -5.380 10.896 -8.652 1.00 0.00 C ATOM 0 H ILE A 63 -7.208 9.067 -7.722 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.268 9.300 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.293 11.086 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.044 12.433 -7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.302 10.894 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.657 12.965 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.523 11.692 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.757 11.844 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.501 11.171 -9.234 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.509 9.814 -8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.261 11.376 -9.077 1.00 0.00 H new ATOM 973 N HIS A 64 -8.138 9.754 -4.297 1.00 0.00 N ATOM 974 CA HIS A 64 -8.807 9.613 -3.015 1.00 0.00 C ATOM 975 C HIS A 64 -8.452 8.257 -2.399 1.00 0.00 C ATOM 976 O HIS A 64 -7.694 8.190 -1.433 1.00 0.00 O ATOM 977 CB HIS A 64 -10.315 9.819 -3.163 1.00 0.00 C ATOM 978 CG HIS A 64 -10.714 11.249 -3.444 1.00 0.00 C ATOM 979 ND1 HIS A 64 -10.619 12.254 -2.498 1.00 0.00 N ATOM 980 CD2 HIS A 64 -11.209 11.830 -4.575 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.041 13.385 -3.045 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.406 13.120 -4.331 1.00 0.00 N ATOM 0 H HIS A 64 -8.695 10.210 -5.020 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.459 10.388 -2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.681 9.185 -3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.808 9.488 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.407 11.326 -5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.087 14.348 -2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.771 13.801 -4.997 1.00 0.00 H new ATOM 990 N ARG A 65 -9.018 7.211 -2.983 1.00 0.00 N ATOM 991 CA ARG A 65 -8.771 5.862 -2.503 1.00 0.00 C ATOM 992 C ARG A 65 -7.291 5.683 -2.160 1.00 0.00 C ATOM 993 O ARG A 65 -6.949 5.365 -1.022 1.00 0.00 O ATOM 994 CB ARG A 65 -9.173 4.823 -3.552 1.00 0.00 C ATOM 995 CG ARG A 65 -10.588 5.086 -4.071 1.00 0.00 C ATOM 996 CD ARG A 65 -11.480 3.858 -3.880 1.00 0.00 C ATOM 997 NE ARG A 65 -12.892 4.211 -4.148 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.389 4.450 -5.369 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.591 4.375 -6.443 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.683 4.764 -5.516 1.00 0.00 N ATOM 0 H ARG A 65 -9.647 7.270 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.375 5.712 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.467 4.847 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.121 3.824 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.019 5.938 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.548 5.350 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.163 3.060 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.378 3.479 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.527 4.277 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.606 4.136 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.969 4.557 -7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.290 4.821 -4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.061 4.946 -6.446 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.453 5.897 -3.163 1.00 0.00 N ATOM 1015 CA LEU A 66 -5.018 5.763 -2.982 1.00 0.00 C ATOM 1016 C LEU A 66 -4.602 6.481 -1.695 1.00 0.00 C ATOM 1017 O LEU A 66 -3.878 5.921 -0.874 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.272 6.249 -4.226 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.225 5.274 -5.403 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.346 5.818 -6.531 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.777 3.885 -4.947 1.00 0.00 C ATOM 0 H LEU A 66 -6.741 6.163 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.745 4.714 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.736 7.175 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.249 6.492 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.234 5.172 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.330 5.105 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.749 6.768 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.332 5.968 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.752 3.211 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.782 3.950 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.477 3.502 -4.205 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.079 7.710 -1.561 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.766 8.510 -0.389 1.00 0.00 C ATOM 1035 C GLU A 67 -5.393 7.888 0.861 1.00 0.00 C ATOM 1036 O GLU A 67 -4.702 7.639 1.847 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.230 9.956 -0.574 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.274 10.725 -1.488 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.741 11.980 -0.792 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.569 12.683 -0.175 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.515 12.207 -0.893 1.00 0.00 O ATOM 0 H GLU A 67 -5.680 8.171 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.684 8.524 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.234 9.968 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.288 10.450 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.442 10.082 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.790 11.005 -2.406 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.695 7.655 0.778 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.422 7.068 1.890 1.00 0.00 C ATOM 1050 C LYS A 68 -6.633 5.876 2.436 1.00 0.00 C ATOM 1051 O LYS A 68 -6.319 5.829 3.625 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.852 6.719 1.470 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.533 7.914 0.800 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.799 8.320 1.558 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.427 9.573 0.945 1.00 0.00 C ATOM 1056 NZ LYS A 68 -12.222 10.302 1.958 1.00 0.00 N ATOM 0 H LYS A 68 -7.265 7.862 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.520 7.786 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.837 5.872 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.427 6.411 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.842 8.756 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.786 7.662 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.518 7.501 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.557 8.505 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.646 10.223 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.064 9.294 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.641 11.150 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.979 9.685 2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.605 10.584 2.746 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.337 4.943 1.543 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.591 3.755 1.922 1.00 0.00 C ATOM 1072 C ILE A 69 -4.318 4.172 2.661 1.00 0.00 C ATOM 1073 O ILE A 69 -3.972 3.588 3.687 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.332 2.874 0.699 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.595 2.111 0.294 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.149 1.935 0.940 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.930 2.347 -1.180 1.00 0.00 C ATOM 0 H ILE A 69 -6.600 4.986 0.558 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.173 3.142 2.610 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.065 3.521 -0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.453 1.045 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.432 2.429 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.987 1.320 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.254 2.523 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.363 1.292 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.832 1.793 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.095 3.411 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.102 2.005 -1.801 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.654 5.178 2.110 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.427 5.679 2.705 1.00 0.00 C ATOM 1091 C LEU A 70 -2.729 6.232 4.099 1.00 0.00 C ATOM 1092 O LEU A 70 -1.935 6.062 5.023 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.755 6.690 1.774 1.00 0.00 C ATOM 1094 CG LEU A 70 -1.011 6.104 0.573 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.474 7.214 -0.334 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.095 5.149 1.026 1.00 0.00 C ATOM 0 H LEU A 70 -3.943 5.659 1.258 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.707 4.870 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.517 7.376 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.051 7.281 2.360 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.719 5.521 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.051 6.770 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.304 7.819 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.214 7.844 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.608 4.746 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.808 5.688 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.342 4.331 1.599 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.878 6.882 4.206 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.295 7.462 5.471 1.00 0.00 C ATOM 1110 C LYS A 71 -4.641 6.340 6.452 1.00 0.00 C ATOM 1111 O LYS A 71 -4.707 6.563 7.659 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.432 8.462 5.255 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.017 9.868 5.693 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.227 10.803 5.751 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.786 12.268 5.775 1.00 0.00 C ATOM 1116 NZ LYS A 71 -5.897 12.820 7.144 1.00 0.00 N ATOM 0 H LYS A 71 -4.534 7.020 3.437 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.480 8.034 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.715 8.474 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.310 8.146 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.541 9.822 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.278 10.266 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.869 10.627 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.819 10.583 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.757 12.350 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.402 12.851 5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.594 13.815 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.885 12.759 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.290 12.274 7.789 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.854 5.157 5.896 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.192 3.998 6.705 1.00 0.00 C ATOM 1132 C ALA A 72 -4.100 2.938 6.553 1.00 0.00 C ATOM 1133 O ALA A 72 -4.379 1.741 6.608 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.572 3.476 6.299 1.00 0.00 C ATOM 0 H ALA A 72 -4.799 4.976 4.894 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.243 4.269 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.825 2.607 6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.317 4.257 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.559 3.192 5.247 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.879 3.416 6.365 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.743 2.523 6.204 1.00 0.00 C ATOM 1142 C ARG A 73 -1.415 1.837 7.532 1.00 0.00 C ATOM 1143 O ARG A 73 -0.981 0.686 7.549 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.509 3.285 5.714 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.104 4.372 6.711 1.00 0.00 C ATOM 1146 CD ARG A 73 1.227 5.011 6.314 1.00 0.00 C ATOM 1147 NE ARG A 73 1.557 6.115 7.244 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.725 6.772 7.246 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.682 6.440 6.369 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.935 7.760 8.126 1.00 0.00 N ATOM 0 H ARG A 73 -2.651 4.409 6.320 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.013 1.773 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.319 2.590 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.717 3.736 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.880 5.137 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.022 3.942 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.019 4.262 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.168 5.390 5.294 1.00 0.00 H new ATOM 0 HE ARG A 73 0.851 6.393 7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.522 5.687 5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.571 6.940 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.206 8.012 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.824 8.261 8.128 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.636 2.571 8.612 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.370 2.048 9.941 1.00 0.00 C ATOM 1166 C GLU A 74 -2.560 1.221 10.434 1.00 0.00 C ATOM 1167 O GLU A 74 -2.412 0.382 11.321 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.044 3.178 10.920 1.00 0.00 C ATOM 1169 CG GLU A 74 0.448 3.514 10.891 1.00 0.00 C ATOM 1170 CD GLU A 74 1.190 2.822 12.037 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.706 2.945 13.182 1.00 0.00 O ATOM 1172 OE2 GLU A 74 2.223 2.185 11.740 1.00 0.00 O ATOM 0 H GLU A 74 -1.997 3.525 8.594 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.498 1.397 9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.625 4.064 10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.335 2.885 11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.875 3.204 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.583 4.593 10.965 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.712 1.487 9.836 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.926 0.779 10.204 1.00 0.00 C ATOM 1181 C HIS A 75 -5.010 -0.535 9.423 1.00 0.00 C ATOM 1182 O HIS A 75 -5.489 -1.541 9.943 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.156 1.667 10.002 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.493 2.527 11.196 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.040 2.014 12.359 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.357 3.869 11.394 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.220 3.011 13.212 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.797 4.161 12.612 1.00 0.00 N ATOM 0 H HIS A 75 -3.830 2.183 9.100 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.899 0.531 11.265 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.989 2.311 9.138 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.013 1.036 9.768 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.959 4.575 10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.630 2.928 14.208 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.816 5.091 13.030 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.534 -0.483 8.187 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.549 -1.657 7.330 1.00 0.00 C ATOM 1198 C VAL A 76 -3.846 -2.814 8.044 1.00 0.00 C ATOM 1199 O VAL A 76 -2.735 -2.653 8.547 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.924 -1.322 5.975 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.596 -2.596 5.193 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.834 -0.400 5.163 1.00 0.00 C ATOM 0 H VAL A 76 -4.136 0.353 7.759 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.573 -1.973 7.132 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.990 -0.791 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.153 -2.330 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.891 -3.201 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.510 -3.165 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.365 -0.178 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.792 -0.892 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.995 0.528 5.712 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.523 -3.952 8.066 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.978 -5.135 8.710 1.00 0.00 C ATOM 1214 C ARG A 77 -4.355 -6.390 7.921 1.00 0.00 C ATOM 1215 O ARG A 77 -5.521 -6.589 7.584 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.493 -5.268 10.144 1.00 0.00 C ATOM 1217 CG ARG A 77 -4.057 -6.599 10.762 1.00 0.00 C ATOM 1218 CD ARG A 77 -3.335 -6.375 12.092 1.00 0.00 C ATOM 1219 NE ARG A 77 -4.307 -6.399 13.207 1.00 0.00 N ATOM 1220 CZ ARG A 77 -4.095 -5.831 14.402 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -2.943 -5.193 14.645 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -5.035 -5.904 15.355 1.00 0.00 N ATOM 0 H ARG A 77 -5.445 -4.080 7.648 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.893 -5.029 8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.117 -4.442 10.748 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.581 -5.198 10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.929 -7.234 10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.399 -7.127 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.581 -7.148 12.240 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.813 -5.418 12.075 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.195 -6.878 13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.227 -5.139 13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.782 -4.761 15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.912 -6.392 15.170 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.874 -5.472 16.265 1.00 0.00 H new ATOM 1236 N MET A 78 -3.346 -7.205 7.649 1.00 0.00 N ATOM 1237 CA MET A 78 -3.557 -8.435 6.907 1.00 0.00 C ATOM 1238 C MET A 78 -3.470 -9.654 7.828 1.00 0.00 C ATOM 1239 O MET A 78 -2.662 -9.678 8.755 1.00 0.00 O ATOM 1240 CB MET A 78 -2.504 -8.553 5.803 1.00 0.00 C ATOM 1241 CG MET A 78 -2.851 -7.652 4.616 1.00 0.00 C ATOM 1242 SD MET A 78 -1.487 -7.605 3.465 1.00 0.00 S ATOM 1243 CE MET A 78 -2.215 -6.629 2.161 1.00 0.00 C ATOM 0 H MET A 78 -2.380 -7.037 7.930 1.00 0.00 H new ATOM 0 HA MET A 78 -4.554 -8.405 6.468 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.526 -8.280 6.198 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.435 -9.589 5.470 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.746 -8.023 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.076 -6.645 4.967 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.426 -6.147 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.801 -7.275 1.507 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.864 -5.868 2.595 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.312 -10.635 7.539 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.340 -11.855 8.329 1.00 0.00 C ATOM 1255 C VAL A 79 -4.437 -13.062 7.395 1.00 0.00 C ATOM 1256 O VAL A 79 -5.399 -13.190 6.640 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.480 -11.792 9.347 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.561 -13.085 10.161 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.332 -10.576 10.264 1.00 0.00 C ATOM 0 H VAL A 79 -4.980 -10.610 6.769 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.418 -11.961 8.900 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.414 -11.684 8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.380 -13.013 10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.738 -13.926 9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.624 -13.238 10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.156 -10.556 10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.387 -10.640 10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.348 -9.665 9.666 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.428 -13.916 7.478 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.388 -15.109 6.648 1.00 0.00 C ATOM 1271 C ILE A 80 -4.463 -16.090 7.122 1.00 0.00 C ATOM 1272 O ILE A 80 -4.338 -16.685 8.190 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.978 -15.703 6.631 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.935 -14.629 6.317 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.893 -16.884 5.663 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.073 -14.134 4.876 1.00 0.00 C ATOM 0 H ILE A 80 -2.632 -13.806 8.107 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.616 -14.860 5.612 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.756 -16.086 7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.051 -13.792 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.066 -15.033 6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.881 -17.288 5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.595 -17.659 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.143 -16.548 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.320 -13.371 4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.932 -14.969 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.066 -13.709 4.731 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.495 -16.228 6.302 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.591 -17.126 6.624 1.00 0.00 C ATOM 1290 C ILE A 81 -6.145 -18.571 6.391 1.00 0.00 C ATOM 1291 O ILE A 81 -6.127 -19.377 7.319 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.849 -16.738 5.844 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.300 -15.321 6.204 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.964 -17.765 6.055 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.294 -15.110 7.719 1.00 0.00 C ATOM 0 H ILE A 81 -5.595 -15.733 5.416 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.858 -17.039 7.677 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.607 -16.740 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.640 -14.594 5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.302 -15.144 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.846 -17.465 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.628 -18.743 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.213 -17.819 7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.619 -14.095 7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.973 -15.822 8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.286 -15.263 8.104 1.00 0.00 H new