USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 678 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 71 GLN : amide:sc= -1.83! X(o=-7!,f=-7.3) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -4.88! C(o=-16!,f=-7!) USER MOD Set 1.3: A 97 THR OG1 : rot 75:sc= -0.308! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.63! C(o=-5!,f=-4.3!) USER MOD Set 2.2: A 25 GLN : amide:sc= -1.68 X(o=-4.3,f=-4.7) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 156:sc= -0.587 (180deg=-1.86!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -3.39! C(o=-6.3!,f=-3.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.322 F(o=-2.7!,f=-0.32) USER MOD Single : A 13 ASN : amide:sc= -1.35 K(o=-1.4,f=-8.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 32 LYS NZ :NH3+ -135:sc= 0.92 (180deg=-0.281) USER MOD Single : A 33 MET CE :methyl -164:sc= -1.6 (180deg=-2.47!) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.31! C(o=-4.1!,f=-3.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.17) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -0.437 (180deg=-1.12) USER MOD Single : A 80 ASN :FLIP amide:sc= -4.73! C(o=-8.6!,f=-4.7!) USER MOD Single : A 83 LYS NZ :NH3+ 133:sc= -0.201 (180deg=-1.07) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc=-0.00528 (180deg=-0.187) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.736 F(o=-1.5!,f=-0.74) USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= 0.107 (180deg=0.0815) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.09 F(o=-3.8!,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 -11.532 8.909 3.143 1.00 0.00 N ATOM 42 CA GLU A 4 -11.662 8.053 4.355 1.00 0.00 C ATOM 43 C GLU A 4 -12.289 6.709 3.975 1.00 0.00 C ATOM 44 O GLU A 4 -12.064 5.703 4.617 1.00 0.00 O ATOM 45 CB GLU A 4 -12.550 8.761 5.384 1.00 0.00 C ATOM 46 CG GLU A 4 -14.007 8.782 4.893 1.00 0.00 C ATOM 47 CD GLU A 4 -14.788 9.866 5.641 1.00 0.00 C ATOM 48 OE1 GLU A 4 -14.568 10.012 6.831 1.00 0.00 O ATOM 49 OE2 GLU A 4 -15.593 10.531 5.009 1.00 0.00 O ATOM 0 HA GLU A 4 -10.675 7.879 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.488 8.249 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.196 9.780 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.037 8.974 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.470 7.809 5.056 1.00 0.00 H new ATOM 56 N ASP A 5 -13.088 6.680 2.947 1.00 0.00 N ATOM 57 CA ASP A 5 -13.725 5.395 2.552 1.00 0.00 C ATOM 58 C ASP A 5 -12.708 4.510 1.834 1.00 0.00 C ATOM 59 O ASP A 5 -12.709 3.307 2.000 1.00 0.00 O ATOM 60 CB ASP A 5 -14.924 5.672 1.645 1.00 0.00 C ATOM 61 CG ASP A 5 -15.483 4.349 1.113 1.00 0.00 C ATOM 62 OD1 ASP A 5 -16.011 3.590 1.910 1.00 0.00 O ATOM 63 OD2 ASP A 5 -15.373 4.118 -0.079 1.00 0.00 O ATOM 0 H ASP A 5 -13.326 7.484 2.367 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.071 4.874 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.695 6.208 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.625 6.312 0.815 1.00 0.00 H new ATOM 68 N ASN A 6 -11.815 5.078 1.055 1.00 0.00 N ATOM 69 CA ASN A 6 -10.797 4.225 0.378 1.00 0.00 C ATOM 70 C ASN A 6 -10.152 3.384 1.484 1.00 0.00 C ATOM 71 O ASN A 6 -9.935 2.196 1.347 1.00 0.00 O ATOM 72 CB ASN A 6 -9.769 5.133 -0.350 1.00 0.00 C ATOM 73 CG ASN A 6 -8.331 4.645 -0.138 1.00 0.00 C ATOM 74 OD1 ASN A 6 -7.841 4.634 1.067 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -7.656 4.272 -1.075 1.00 0.00 N flip ATOM 0 H ASN A 6 -11.751 6.078 0.864 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.227 3.572 -0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.993 5.153 -1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.864 6.156 0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.043 4.282 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.701 3.949 -0.919 1.00 0.00 H new ATOM 82 N TRP A 7 -9.888 4.012 2.596 1.00 0.00 N ATOM 83 CA TRP A 7 -9.303 3.292 3.755 1.00 0.00 C ATOM 84 C TRP A 7 -10.244 2.141 4.128 1.00 0.00 C ATOM 85 O TRP A 7 -9.816 1.046 4.437 1.00 0.00 O ATOM 86 CB TRP A 7 -9.178 4.278 4.939 1.00 0.00 C ATOM 87 CG TRP A 7 -7.777 4.794 5.040 1.00 0.00 C ATOM 88 CD1 TRP A 7 -7.167 5.520 4.083 1.00 0.00 C ATOM 89 CD2 TRP A 7 -6.811 4.648 6.123 1.00 0.00 C ATOM 90 NE1 TRP A 7 -5.888 5.828 4.498 1.00 0.00 N ATOM 91 CE2 TRP A 7 -5.621 5.315 5.752 1.00 0.00 C ATOM 92 CE3 TRP A 7 -6.850 4.010 7.377 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -4.508 5.351 6.592 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -5.729 4.042 8.226 1.00 0.00 C ATOM 95 CH2 TRP A 7 -4.561 4.713 7.835 1.00 0.00 C ATOM 0 H TRP A 7 -10.056 5.006 2.750 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.317 2.896 3.512 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.870 5.109 4.803 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.457 3.779 5.867 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.608 5.814 3.142 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.221 6.368 3.946 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.745 3.493 7.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.611 5.868 6.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.768 3.547 9.185 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -3.705 4.737 8.493 1.00 0.00 H new ATOM 106 N GLU A 8 -11.526 2.390 4.098 1.00 0.00 N ATOM 107 CA GLU A 8 -12.500 1.323 4.450 1.00 0.00 C ATOM 108 C GLU A 8 -12.283 0.141 3.509 1.00 0.00 C ATOM 109 O GLU A 8 -12.218 -0.996 3.930 1.00 0.00 O ATOM 110 CB GLU A 8 -13.921 1.858 4.294 1.00 0.00 C ATOM 111 CG GLU A 8 -14.907 0.900 4.966 1.00 0.00 C ATOM 112 CD GLU A 8 -16.338 1.392 4.735 1.00 0.00 C ATOM 113 OE1 GLU A 8 -16.619 2.525 5.089 1.00 0.00 O ATOM 114 OE2 GLU A 8 -17.129 0.626 4.208 1.00 0.00 O ATOM 0 H GLU A 8 -11.939 3.288 3.844 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.355 1.006 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.999 2.849 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.166 1.966 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.787 -0.105 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.700 0.840 6.035 1.00 0.00 H new ATOM 121 N THR A 9 -12.143 0.401 2.238 1.00 0.00 N ATOM 122 CA THR A 9 -11.893 -0.713 1.286 1.00 0.00 C ATOM 123 C THR A 9 -10.649 -1.459 1.764 1.00 0.00 C ATOM 124 O THR A 9 -10.667 -2.649 2.017 1.00 0.00 O ATOM 125 CB THR A 9 -11.647 -0.140 -0.124 1.00 0.00 C ATOM 126 OG1 THR A 9 -12.533 0.947 -0.348 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.900 -1.224 -1.175 1.00 0.00 C ATOM 0 H THR A 9 -12.191 1.331 1.821 1.00 0.00 H new ATOM 0 HA THR A 9 -12.750 -1.386 1.245 1.00 0.00 H new ATOM 0 HB THR A 9 -10.615 0.202 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.379 1.316 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.725 -0.814 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.224 -2.062 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.931 -1.569 -1.101 1.00 0.00 H new ATOM 135 N LEU A 10 -9.573 -0.742 1.904 1.00 0.00 N ATOM 136 CA LEU A 10 -8.309 -1.347 2.374 1.00 0.00 C ATOM 137 C LEU A 10 -8.484 -1.878 3.799 1.00 0.00 C ATOM 138 O LEU A 10 -7.769 -2.750 4.238 1.00 0.00 O ATOM 139 CB LEU A 10 -7.235 -0.255 2.356 1.00 0.00 C ATOM 140 CG LEU A 10 -6.669 -0.050 0.915 1.00 0.00 C ATOM 141 CD1 LEU A 10 -6.834 1.409 0.485 1.00 0.00 C ATOM 142 CD2 LEU A 10 -5.178 -0.405 0.880 1.00 0.00 C ATOM 0 H LEU A 10 -9.520 0.257 1.707 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.021 -2.178 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.657 0.681 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.425 -0.525 3.034 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.221 -0.699 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.436 1.539 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.891 1.674 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.293 2.055 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.793 -0.259 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.635 0.238 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.045 -1.447 1.172 1.00 0.00 H new ATOM 154 N ASN A 11 -9.414 -1.353 4.535 1.00 0.00 N ATOM 155 CA ASN A 11 -9.601 -1.835 5.929 1.00 0.00 C ATOM 156 C ASN A 11 -10.023 -3.300 5.920 1.00 0.00 C ATOM 157 O ASN A 11 -9.294 -4.180 6.333 1.00 0.00 O ATOM 158 CB ASN A 11 -10.698 -1.024 6.604 1.00 0.00 C ATOM 159 CG ASN A 11 -10.675 -1.316 8.106 1.00 0.00 C ATOM 160 OD1 ASN A 11 -9.837 -2.208 8.567 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -11.422 -0.730 8.865 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.051 -0.615 4.237 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.661 -1.723 6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.545 0.040 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.670 -1.282 6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.075 -0.035 8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.396 -0.933 9.864 1.00 0.00 H new ATOM 168 N ASP A 12 -11.213 -3.553 5.461 1.00 0.00 N ATOM 169 CA ASP A 12 -11.730 -4.944 5.426 1.00 0.00 C ATOM 170 C ASP A 12 -10.761 -5.836 4.673 1.00 0.00 C ATOM 171 O ASP A 12 -10.834 -7.047 4.753 1.00 0.00 O ATOM 172 CB ASP A 12 -13.055 -4.963 4.685 1.00 0.00 C ATOM 173 CG ASP A 12 -14.130 -4.276 5.529 1.00 0.00 C ATOM 174 OD1 ASP A 12 -13.788 -3.350 6.247 1.00 0.00 O ATOM 175 OD2 ASP A 12 -15.276 -4.686 5.444 1.00 0.00 O ATOM 0 H ASP A 12 -11.857 -2.847 5.105 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.852 -5.302 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.953 -4.455 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.348 -5.991 4.472 1.00 0.00 H new ATOM 180 N ASN A 13 -9.865 -5.271 3.923 1.00 0.00 N ATOM 181 CA ASN A 13 -8.937 -6.147 3.172 1.00 0.00 C ATOM 182 C ASN A 13 -8.043 -6.881 4.181 1.00 0.00 C ATOM 183 O ASN A 13 -8.007 -8.093 4.218 1.00 0.00 O ATOM 184 CB ASN A 13 -8.087 -5.316 2.194 1.00 0.00 C ATOM 185 CG ASN A 13 -8.772 -5.240 0.823 1.00 0.00 C ATOM 186 OD1 ASN A 13 -8.453 -6.000 -0.071 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.704 -4.352 0.618 1.00 0.00 N ATOM 0 H ASN A 13 -9.736 -4.267 3.799 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.501 -6.872 2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.942 -4.311 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.099 -5.764 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.164 -4.296 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.973 -3.713 1.366 1.00 0.00 H new ATOM 194 N LEU A 14 -7.338 -6.158 5.013 1.00 0.00 N ATOM 195 CA LEU A 14 -6.468 -6.824 6.025 1.00 0.00 C ATOM 196 C LEU A 14 -7.325 -7.755 6.879 1.00 0.00 C ATOM 197 O LEU A 14 -6.888 -8.799 7.320 1.00 0.00 O ATOM 198 CB LEU A 14 -5.837 -5.770 6.949 1.00 0.00 C ATOM 199 CG LEU A 14 -4.677 -5.034 6.252 1.00 0.00 C ATOM 200 CD1 LEU A 14 -3.464 -5.953 6.086 1.00 0.00 C ATOM 201 CD2 LEU A 14 -5.123 -4.536 4.881 1.00 0.00 C ATOM 0 H LEU A 14 -7.328 -5.138 5.035 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.685 -7.381 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.596 -5.050 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.472 -6.251 7.856 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.392 -4.188 6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.660 -5.408 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.125 -6.289 7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.742 -6.817 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.296 -4.017 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.429 -5.384 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.963 -3.851 4.998 1.00 0.00 H new ATOM 213 N LYS A 15 -8.536 -7.366 7.124 1.00 0.00 N ATOM 214 CA LYS A 15 -9.441 -8.190 7.964 1.00 0.00 C ATOM 215 C LYS A 15 -9.604 -9.581 7.352 1.00 0.00 C ATOM 216 O LYS A 15 -9.558 -10.578 8.043 1.00 0.00 O ATOM 217 CB LYS A 15 -10.802 -7.483 8.015 1.00 0.00 C ATOM 218 CG LYS A 15 -11.770 -8.208 8.961 1.00 0.00 C ATOM 219 CD LYS A 15 -13.216 -7.746 8.680 1.00 0.00 C ATOM 220 CE LYS A 15 -13.843 -8.607 7.574 1.00 0.00 C ATOM 221 NZ LYS A 15 -13.842 -10.037 7.994 1.00 0.00 N ATOM 0 H LYS A 15 -8.946 -6.500 6.774 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.029 -8.304 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.668 -6.454 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.231 -7.441 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.689 -9.286 8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.506 -7.998 9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.812 -7.819 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.219 -6.698 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.862 -8.276 7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.283 -8.489 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.589 -10.549 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.919 -10.463 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.017 -10.098 9.017 1.00 0.00 H new ATOM 235 N VAL A 16 -9.819 -9.666 6.072 1.00 0.00 N ATOM 236 CA VAL A 16 -10.014 -10.991 5.450 1.00 0.00 C ATOM 237 C VAL A 16 -8.711 -11.799 5.476 1.00 0.00 C ATOM 238 O VAL A 16 -8.684 -12.868 6.031 1.00 0.00 O ATOM 239 CB VAL A 16 -10.545 -10.782 4.017 1.00 0.00 C ATOM 240 CG1 VAL A 16 -10.179 -11.964 3.122 1.00 0.00 C ATOM 241 CG2 VAL A 16 -12.069 -10.647 4.064 1.00 0.00 C ATOM 0 H VAL A 16 -9.867 -8.872 5.433 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.745 -11.571 6.013 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.093 -9.879 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.565 -11.793 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.095 -12.068 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.616 -12.876 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.452 -10.499 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.502 -11.554 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.340 -9.792 4.684 1.00 0.00 H new ATOM 251 N ILE A 17 -7.637 -11.329 4.886 1.00 0.00 N ATOM 252 CA ILE A 17 -6.378 -12.152 4.918 1.00 0.00 C ATOM 253 C ILE A 17 -6.150 -12.602 6.361 1.00 0.00 C ATOM 254 O ILE A 17 -5.898 -13.757 6.636 1.00 0.00 O ATOM 255 CB ILE A 17 -5.152 -11.336 4.410 1.00 0.00 C ATOM 256 CG1 ILE A 17 -5.621 -10.005 3.819 1.00 0.00 C ATOM 257 CG2 ILE A 17 -4.404 -12.118 3.323 1.00 0.00 C ATOM 258 CD1 ILE A 17 -4.413 -9.203 3.333 1.00 0.00 C ATOM 0 H ILE A 17 -7.573 -10.437 4.396 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.488 -13.012 4.257 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.487 -11.156 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.307 -10.185 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.170 -9.436 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.550 -11.535 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.055 -13.066 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.075 -12.309 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.750 -8.256 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.743 -9.010 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.883 -9.771 2.568 1.00 0.00 H new ATOM 270 N GLU A 18 -6.281 -11.693 7.281 1.00 0.00 N ATOM 271 CA GLU A 18 -6.112 -12.051 8.709 1.00 0.00 C ATOM 272 C GLU A 18 -7.114 -13.153 9.059 1.00 0.00 C ATOM 273 O GLU A 18 -6.869 -13.976 9.919 1.00 0.00 O ATOM 274 CB GLU A 18 -6.397 -10.817 9.574 1.00 0.00 C ATOM 275 CG GLU A 18 -5.351 -9.711 9.303 1.00 0.00 C ATOM 276 CD GLU A 18 -4.189 -9.824 10.300 1.00 0.00 C ATOM 277 OE1 GLU A 18 -3.256 -10.555 10.010 1.00 0.00 O ATOM 278 OE2 GLU A 18 -4.254 -9.176 11.332 1.00 0.00 O ATOM 0 H GLU A 18 -6.499 -10.713 7.103 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.095 -12.398 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.397 -10.440 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.378 -11.093 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.975 -9.798 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.818 -8.730 9.388 1.00 0.00 H new ATOM 285 N LYS A 19 -8.261 -13.157 8.409 1.00 0.00 N ATOM 286 CA LYS A 19 -9.314 -14.183 8.707 1.00 0.00 C ATOM 287 C LYS A 19 -9.748 -14.888 7.410 1.00 0.00 C ATOM 288 O LYS A 19 -10.905 -15.207 7.223 1.00 0.00 O ATOM 289 CB LYS A 19 -10.518 -13.462 9.341 1.00 0.00 C ATOM 290 CG LYS A 19 -10.091 -12.796 10.675 1.00 0.00 C ATOM 291 CD LYS A 19 -10.841 -11.469 10.889 1.00 0.00 C ATOM 292 CE LYS A 19 -12.353 -11.674 10.710 1.00 0.00 C ATOM 293 NZ LYS A 19 -13.081 -10.689 11.559 1.00 0.00 N ATOM 0 H LYS A 19 -8.511 -12.488 7.681 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.921 -14.936 9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.904 -12.708 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.325 -14.172 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.295 -13.472 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.016 -12.614 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.635 -11.085 11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.482 -10.723 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.629 -11.545 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.631 -12.690 10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.106 -10.822 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.824 -10.833 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.822 -9.724 11.271 1.00 0.00 H new ATOM 307 N ALA A 20 -8.826 -15.119 6.510 1.00 0.00 N ATOM 308 CA ALA A 20 -9.173 -15.787 5.220 1.00 0.00 C ATOM 309 C ALA A 20 -9.642 -17.221 5.471 1.00 0.00 C ATOM 310 O ALA A 20 -10.199 -17.853 4.598 1.00 0.00 O ATOM 311 CB ALA A 20 -7.939 -15.810 4.311 1.00 0.00 C ATOM 0 H ALA A 20 -7.842 -14.872 6.615 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.978 -15.230 4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.190 -16.297 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.612 -14.789 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.136 -16.360 4.801 1.00 0.00 H new ATOM 317 N ASP A 21 -9.393 -17.741 6.641 1.00 0.00 N ATOM 318 CA ASP A 21 -9.793 -19.145 6.966 1.00 0.00 C ATOM 319 C ASP A 21 -9.023 -20.128 6.076 1.00 0.00 C ATOM 320 O ASP A 21 -8.720 -21.234 6.479 1.00 0.00 O ATOM 321 CB ASP A 21 -11.301 -19.328 6.756 1.00 0.00 C ATOM 322 CG ASP A 21 -12.052 -18.209 7.481 1.00 0.00 C ATOM 323 OD1 ASP A 21 -12.230 -18.325 8.682 1.00 0.00 O ATOM 324 OD2 ASP A 21 -12.437 -17.256 6.823 1.00 0.00 O ATOM 0 H ASP A 21 -8.922 -17.247 7.399 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.554 -19.344 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.536 -19.310 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.617 -20.299 7.136 1.00 0.00 H new ATOM 329 N ASN A 22 -8.700 -19.736 4.875 1.00 0.00 N ATOM 330 CA ASN A 22 -7.942 -20.645 3.961 1.00 0.00 C ATOM 331 C ASN A 22 -7.156 -19.815 2.942 1.00 0.00 C ATOM 332 O ASN A 22 -7.535 -18.712 2.600 1.00 0.00 O ATOM 333 CB ASN A 22 -8.921 -21.557 3.221 1.00 0.00 C ATOM 334 CG ASN A 22 -9.936 -22.129 4.210 1.00 0.00 C ATOM 335 OD1 ASN A 22 -11.048 -21.484 4.425 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -9.715 -23.172 4.792 1.00 0.00 N flip ATOM 0 H ASN A 22 -8.928 -18.822 4.483 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.250 -21.249 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.435 -20.998 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.380 -22.366 2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.844 -23.676 4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.400 -23.544 5.450 1.00 0.00 H new ATOM 343 N ALA A 23 -6.065 -20.338 2.449 1.00 0.00 N ATOM 344 CA ALA A 23 -5.259 -19.582 1.448 1.00 0.00 C ATOM 345 C ALA A 23 -6.170 -19.121 0.305 1.00 0.00 C ATOM 346 O ALA A 23 -5.795 -18.305 -0.513 1.00 0.00 O ATOM 347 CB ALA A 23 -4.149 -20.490 0.892 1.00 0.00 C ATOM 0 H ALA A 23 -5.697 -21.257 2.697 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.807 -18.712 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.560 -19.938 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.503 -20.816 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.597 -21.361 0.414 1.00 0.00 H new ATOM 353 N ALA A 24 -7.358 -19.651 0.235 1.00 0.00 N ATOM 354 CA ALA A 24 -8.286 -19.258 -0.859 1.00 0.00 C ATOM 355 C ALA A 24 -8.692 -17.791 -0.707 1.00 0.00 C ATOM 356 O ALA A 24 -8.425 -16.972 -1.565 1.00 0.00 O ATOM 357 CB ALA A 24 -9.534 -20.140 -0.808 1.00 0.00 C ATOM 0 H ALA A 24 -7.727 -20.341 0.890 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.781 -19.388 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.215 -19.853 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.247 -21.184 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.031 -20.012 0.154 1.00 0.00 H new ATOM 363 N GLN A 25 -9.351 -17.448 0.368 1.00 0.00 N ATOM 364 CA GLN A 25 -9.782 -16.033 0.543 1.00 0.00 C ATOM 365 C GLN A 25 -8.566 -15.122 0.713 1.00 0.00 C ATOM 366 O GLN A 25 -8.680 -13.913 0.665 1.00 0.00 O ATOM 367 CB GLN A 25 -10.677 -15.909 1.776 1.00 0.00 C ATOM 368 CG GLN A 25 -11.992 -16.717 1.584 1.00 0.00 C ATOM 369 CD GLN A 25 -12.187 -17.704 2.746 1.00 0.00 C ATOM 370 OE1 GLN A 25 -12.649 -17.329 3.806 1.00 0.00 O ATOM 371 NE2 GLN A 25 -11.847 -18.954 2.588 1.00 0.00 N ATOM 0 H GLN A 25 -9.607 -18.081 1.126 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.336 -15.730 -0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.146 -16.273 2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.912 -14.860 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.841 -16.035 1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.959 -17.259 0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.459 -19.269 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.969 -19.616 3.354 1.00 0.00 H new ATOM 380 N VAL A 26 -7.404 -15.677 0.900 1.00 0.00 N ATOM 381 CA VAL A 26 -6.206 -14.820 1.056 1.00 0.00 C ATOM 382 C VAL A 26 -5.915 -14.157 -0.296 1.00 0.00 C ATOM 383 O VAL A 26 -5.893 -12.948 -0.418 1.00 0.00 O ATOM 384 CB VAL A 26 -5.008 -15.694 1.481 1.00 0.00 C ATOM 385 CG1 VAL A 26 -3.697 -14.962 1.194 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.083 -16.027 2.979 1.00 0.00 C ATOM 0 H VAL A 26 -7.235 -16.682 0.951 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.374 -14.058 1.817 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.044 -16.621 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.857 -15.587 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.625 -14.750 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.673 -14.026 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.229 -16.644 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.068 -15.104 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.005 -16.570 3.185 1.00 0.00 H new ATOM 396 N LYS A 27 -5.678 -14.948 -1.303 1.00 0.00 N ATOM 397 CA LYS A 27 -5.371 -14.377 -2.644 1.00 0.00 C ATOM 398 C LYS A 27 -6.519 -13.476 -3.108 1.00 0.00 C ATOM 399 O LYS A 27 -6.311 -12.501 -3.802 1.00 0.00 O ATOM 400 CB LYS A 27 -5.144 -15.505 -3.661 1.00 0.00 C ATOM 401 CG LYS A 27 -6.200 -16.604 -3.484 1.00 0.00 C ATOM 402 CD LYS A 27 -5.929 -17.759 -4.463 1.00 0.00 C ATOM 403 CE LYS A 27 -6.494 -17.428 -5.850 1.00 0.00 C ATOM 404 NZ LYS A 27 -6.367 -18.621 -6.734 1.00 0.00 N ATOM 0 H LYS A 27 -5.683 -15.967 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.461 -13.781 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.192 -15.105 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.147 -15.925 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.183 -16.974 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.195 -16.195 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.856 -17.940 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.383 -18.676 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.540 -17.132 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.957 -16.583 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.750 -18.398 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.364 -18.883 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.898 -19.415 -6.324 1.00 0.00 H new ATOM 418 N ASP A 28 -7.726 -13.791 -2.733 1.00 0.00 N ATOM 419 CA ASP A 28 -8.881 -12.953 -3.153 1.00 0.00 C ATOM 420 C ASP A 28 -8.712 -11.546 -2.591 1.00 0.00 C ATOM 421 O ASP A 28 -8.630 -10.587 -3.324 1.00 0.00 O ATOM 422 CB ASP A 28 -10.175 -13.599 -2.610 1.00 0.00 C ATOM 423 CG ASP A 28 -11.288 -13.542 -3.664 1.00 0.00 C ATOM 424 OD1 ASP A 28 -11.343 -14.438 -4.489 1.00 0.00 O ATOM 425 OD2 ASP A 28 -12.063 -12.600 -3.627 1.00 0.00 O ATOM 0 H ASP A 28 -7.963 -14.595 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.935 -12.889 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.982 -14.635 -2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.495 -13.081 -1.706 1.00 0.00 H new ATOM 430 N ALA A 29 -8.668 -11.424 -1.298 1.00 0.00 N ATOM 431 CA ALA A 29 -8.531 -10.076 -0.674 1.00 0.00 C ATOM 432 C ALA A 29 -7.363 -9.304 -1.305 1.00 0.00 C ATOM 433 O ALA A 29 -7.466 -8.121 -1.556 1.00 0.00 O ATOM 434 CB ALA A 29 -8.298 -10.241 0.836 1.00 0.00 C ATOM 0 H ALA A 29 -8.721 -12.201 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.446 -9.509 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.197 -9.259 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.144 -10.765 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.387 -10.816 1.003 1.00 0.00 H new ATOM 440 N LEU A 30 -6.255 -9.945 -1.555 1.00 0.00 N ATOM 441 CA LEU A 30 -5.107 -9.206 -2.157 1.00 0.00 C ATOM 442 C LEU A 30 -5.518 -8.629 -3.514 1.00 0.00 C ATOM 443 O LEU A 30 -5.206 -7.502 -3.834 1.00 0.00 O ATOM 444 CB LEU A 30 -3.903 -10.152 -2.319 1.00 0.00 C ATOM 445 CG LEU A 30 -3.200 -10.320 -0.950 1.00 0.00 C ATOM 446 CD1 LEU A 30 -2.432 -11.646 -0.906 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.221 -9.148 -0.714 1.00 0.00 C ATOM 0 H LEU A 30 -6.094 -10.935 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.821 -8.386 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.234 -11.121 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.205 -9.749 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.958 -10.322 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.943 -11.751 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.126 -12.473 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.681 -11.658 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.730 -9.273 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.470 -9.136 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.771 -8.207 -0.722 1.00 0.00 H new ATOM 459 N THR A 31 -6.225 -9.380 -4.312 1.00 0.00 N ATOM 460 CA THR A 31 -6.654 -8.861 -5.634 1.00 0.00 C ATOM 461 C THR A 31 -7.493 -7.590 -5.433 1.00 0.00 C ATOM 462 O THR A 31 -7.448 -6.668 -6.229 1.00 0.00 O ATOM 463 CB THR A 31 -7.491 -9.943 -6.333 1.00 0.00 C ATOM 464 OG1 THR A 31 -6.635 -10.970 -6.807 1.00 0.00 O ATOM 465 CG2 THR A 31 -8.249 -9.340 -7.511 1.00 0.00 C ATOM 0 H THR A 31 -6.523 -10.333 -4.102 1.00 0.00 H new ATOM 0 HA THR A 31 -5.787 -8.616 -6.247 1.00 0.00 H new ATOM 0 HB THR A 31 -8.205 -10.355 -5.619 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.169 -11.661 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.839 -10.116 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.911 -8.552 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.539 -8.921 -8.224 1.00 0.00 H new ATOM 473 N LYS A 32 -8.249 -7.528 -4.372 1.00 0.00 N ATOM 474 CA LYS A 32 -9.076 -6.314 -4.125 1.00 0.00 C ATOM 475 C LYS A 32 -8.138 -5.185 -3.710 1.00 0.00 C ATOM 476 O LYS A 32 -8.301 -4.046 -4.097 1.00 0.00 O ATOM 477 CB LYS A 32 -10.137 -6.566 -3.023 1.00 0.00 C ATOM 478 CG LYS A 32 -10.604 -8.035 -3.018 1.00 0.00 C ATOM 479 CD LYS A 32 -11.421 -8.372 -4.293 1.00 0.00 C ATOM 480 CE LYS A 32 -11.229 -9.854 -4.704 1.00 0.00 C ATOM 481 NZ LYS A 32 -12.524 -10.393 -5.209 1.00 0.00 N ATOM 0 H LYS A 32 -8.330 -8.262 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.616 -6.050 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.719 -6.312 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.993 -5.911 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.738 -8.694 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.213 -8.222 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.478 -8.175 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.110 -7.722 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.462 -9.934 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.885 -10.439 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.693 -11.333 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.296 -9.752 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.487 -10.471 -6.245 1.00 0.00 H new ATOM 495 N MET A 33 -7.141 -5.504 -2.931 1.00 0.00 N ATOM 496 CA MET A 33 -6.173 -4.466 -2.497 1.00 0.00 C ATOM 497 C MET A 33 -5.498 -3.881 -3.737 1.00 0.00 C ATOM 498 O MET A 33 -5.330 -2.692 -3.846 1.00 0.00 O ATOM 499 CB MET A 33 -5.128 -5.118 -1.583 1.00 0.00 C ATOM 500 CG MET A 33 -5.630 -5.196 -0.115 1.00 0.00 C ATOM 501 SD MET A 33 -4.292 -4.762 1.025 1.00 0.00 S ATOM 502 CE MET A 33 -3.375 -6.312 0.905 1.00 0.00 C ATOM 0 H MET A 33 -6.957 -6.443 -2.577 1.00 0.00 H new ATOM 0 HA MET A 33 -6.679 -3.669 -1.951 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.900 -6.121 -1.945 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.201 -4.547 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.472 -4.518 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.990 -6.202 0.101 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.669 -6.382 1.732 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.070 -7.150 0.949 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.831 -6.341 -0.039 1.00 0.00 H new ATOM 512 N ARG A 34 -5.130 -4.701 -4.685 1.00 0.00 N ATOM 513 CA ARG A 34 -4.496 -4.165 -5.927 1.00 0.00 C ATOM 514 C ARG A 34 -5.350 -3.002 -6.434 1.00 0.00 C ATOM 515 O ARG A 34 -4.867 -1.922 -6.711 1.00 0.00 O ATOM 516 CB ARG A 34 -4.482 -5.284 -6.987 1.00 0.00 C ATOM 517 CG ARG A 34 -3.078 -5.901 -7.121 1.00 0.00 C ATOM 518 CD ARG A 34 -2.683 -6.614 -5.824 1.00 0.00 C ATOM 519 NE ARG A 34 -2.172 -5.605 -4.844 1.00 0.00 N ATOM 520 CZ ARG A 34 -2.418 -5.726 -3.570 1.00 0.00 C ATOM 521 NH1 ARG A 34 -3.006 -6.795 -3.111 1.00 0.00 N ATOM 522 NH2 ARG A 34 -2.040 -4.788 -2.746 1.00 0.00 N ATOM 0 H ARG A 34 -5.240 -5.715 -4.655 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.479 -3.826 -5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.198 -6.058 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.800 -4.882 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.062 -6.607 -7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.352 -5.122 -7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.542 -7.140 -5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.917 -7.363 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.624 -4.812 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.276 -7.543 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.196 -6.884 -2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.554 -3.964 -3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.231 -4.879 -1.748 1.00 0.00 H new ATOM 536 N ALA A 35 -6.621 -3.238 -6.556 1.00 0.00 N ATOM 537 CA ALA A 35 -7.539 -2.176 -7.046 1.00 0.00 C ATOM 538 C ALA A 35 -7.622 -1.049 -6.012 1.00 0.00 C ATOM 539 O ALA A 35 -7.419 0.108 -6.322 1.00 0.00 O ATOM 540 CB ALA A 35 -8.919 -2.788 -7.279 1.00 0.00 C ATOM 0 H ALA A 35 -7.069 -4.128 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.165 -1.760 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.602 -2.019 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.844 -3.583 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.297 -3.200 -6.343 1.00 0.00 H new ATOM 546 N ALA A 36 -7.911 -1.380 -4.784 1.00 0.00 N ATOM 547 CA ALA A 36 -7.998 -0.333 -3.726 1.00 0.00 C ATOM 548 C ALA A 36 -6.623 0.322 -3.546 1.00 0.00 C ATOM 549 O ALA A 36 -6.511 1.445 -3.097 1.00 0.00 O ATOM 550 CB ALA A 36 -8.427 -0.987 -2.410 1.00 0.00 C ATOM 0 H ALA A 36 -8.091 -2.332 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.726 0.425 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.493 -0.228 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.401 -1.460 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.693 -1.740 -2.122 1.00 0.00 H new ATOM 556 N ALA A 37 -5.572 -0.385 -3.878 1.00 0.00 N ATOM 557 CA ALA A 37 -4.196 0.174 -3.713 1.00 0.00 C ATOM 558 C ALA A 37 -3.957 1.351 -4.660 1.00 0.00 C ATOM 559 O ALA A 37 -3.868 2.491 -4.246 1.00 0.00 O ATOM 560 CB ALA A 37 -3.167 -0.910 -4.009 1.00 0.00 C ATOM 0 H ALA A 37 -5.609 -1.331 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.097 0.525 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.164 -0.502 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.306 -1.742 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.295 -1.263 -5.032 1.00 0.00 H new ATOM 566 N LEU A 38 -3.820 1.082 -5.931 1.00 0.00 N ATOM 567 CA LEU A 38 -3.548 2.187 -6.896 1.00 0.00 C ATOM 568 C LEU A 38 -4.685 3.203 -6.817 1.00 0.00 C ATOM 569 O LEU A 38 -4.527 4.373 -7.132 1.00 0.00 O ATOM 570 CB LEU A 38 -3.454 1.642 -8.322 1.00 0.00 C ATOM 571 CG LEU A 38 -2.431 0.488 -8.391 1.00 0.00 C ATOM 572 CD1 LEU A 38 -2.738 -0.404 -9.598 1.00 0.00 C ATOM 573 CD2 LEU A 38 -1.012 1.052 -8.539 1.00 0.00 C ATOM 0 H LEU A 38 -3.884 0.150 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.600 2.660 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.432 1.289 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.159 2.439 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.499 -0.095 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.014 -1.217 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.742 -0.817 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.677 0.187 -10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.297 0.231 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.949 1.642 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.781 1.685 -7.682 1.00 0.00 H new ATOM 585 N ASP A 39 -5.827 2.791 -6.355 1.00 0.00 N ATOM 586 CA ASP A 39 -6.932 3.767 -6.227 1.00 0.00 C ATOM 587 C ASP A 39 -6.438 4.812 -5.241 1.00 0.00 C ATOM 588 O ASP A 39 -6.642 5.998 -5.407 1.00 0.00 O ATOM 589 CB ASP A 39 -8.185 3.076 -5.683 1.00 0.00 C ATOM 590 CG ASP A 39 -9.325 4.091 -5.584 1.00 0.00 C ATOM 591 OD1 ASP A 39 -9.646 4.692 -6.596 1.00 0.00 O ATOM 592 OD2 ASP A 39 -9.857 4.251 -4.498 1.00 0.00 O ATOM 0 H ASP A 39 -6.040 1.837 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.197 4.210 -7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.472 2.253 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.980 2.647 -4.702 1.00 0.00 H new ATOM 597 N ALA A 40 -5.728 4.367 -4.241 1.00 0.00 N ATOM 598 CA ALA A 40 -5.146 5.312 -3.263 1.00 0.00 C ATOM 599 C ALA A 40 -4.146 6.208 -4.004 1.00 0.00 C ATOM 600 O ALA A 40 -3.945 7.345 -3.635 1.00 0.00 O ATOM 601 CB ALA A 40 -4.452 4.538 -2.146 1.00 0.00 C ATOM 0 H ALA A 40 -5.528 3.383 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.926 5.926 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.025 5.239 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.177 3.899 -1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.658 3.923 -2.569 1.00 0.00 H new ATOM 607 N GLN A 41 -3.539 5.711 -5.078 1.00 0.00 N ATOM 608 CA GLN A 41 -2.577 6.559 -5.877 1.00 0.00 C ATOM 609 C GLN A 41 -3.229 7.923 -6.035 1.00 0.00 C ATOM 610 O GLN A 41 -2.624 8.958 -5.835 1.00 0.00 O ATOM 611 CB GLN A 41 -2.375 5.943 -7.287 1.00 0.00 C ATOM 612 CG GLN A 41 -1.115 6.492 -8.001 1.00 0.00 C ATOM 613 CD GLN A 41 -1.439 7.795 -8.747 1.00 0.00 C ATOM 614 OE1 GLN A 41 -1.773 8.856 -8.077 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 -1.387 7.839 -9.959 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.670 4.762 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.610 6.622 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.295 4.860 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.253 6.149 -7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.326 6.672 -7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.736 5.749 -8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.125 7.008 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.605 8.707 -10.448 1.00 0.00 H new ATOM 624 N LYS A 42 -4.485 7.906 -6.386 1.00 0.00 N ATOM 625 CA LYS A 42 -5.250 9.177 -6.571 1.00 0.00 C ATOM 626 C LYS A 42 -6.228 9.357 -5.398 1.00 0.00 C ATOM 627 O LYS A 42 -7.219 10.053 -5.506 1.00 0.00 O ATOM 628 CB LYS A 42 -6.022 9.105 -7.907 1.00 0.00 C ATOM 629 CG LYS A 42 -5.294 8.167 -8.907 1.00 0.00 C ATOM 630 CD LYS A 42 -5.482 8.665 -10.352 1.00 0.00 C ATOM 631 CE LYS A 42 -4.441 9.745 -10.678 1.00 0.00 C ATOM 632 NZ LYS A 42 -4.453 10.015 -12.143 1.00 0.00 N ATOM 0 H LYS A 42 -5.023 7.056 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.569 10.028 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.034 8.741 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.112 10.103 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.232 8.124 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.683 7.153 -8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.383 7.832 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.487 9.068 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.663 10.659 -10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.450 9.417 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.749 10.747 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.222 9.142 -12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.397 10.345 -12.427 1.00 0.00 H new ATOM 646 N ALA A 43 -5.954 8.737 -4.281 1.00 0.00 N ATOM 647 CA ALA A 43 -6.852 8.868 -3.101 1.00 0.00 C ATOM 648 C ALA A 43 -6.114 8.345 -1.871 1.00 0.00 C ATOM 649 O ALA A 43 -6.576 7.458 -1.180 1.00 0.00 O ATOM 650 CB ALA A 43 -8.116 8.046 -3.325 1.00 0.00 C ATOM 0 H ALA A 43 -5.139 8.141 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.129 9.912 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.772 8.144 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.632 8.408 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.849 6.998 -3.462 1.00 0.00 H new ATOM 656 N THR A 44 -4.958 8.881 -1.612 1.00 0.00 N ATOM 657 CA THR A 44 -4.134 8.433 -0.449 1.00 0.00 C ATOM 658 C THR A 44 -4.190 9.522 0.633 1.00 0.00 C ATOM 659 O THR A 44 -4.412 10.676 0.328 1.00 0.00 O ATOM 660 CB THR A 44 -2.697 8.233 -0.964 1.00 0.00 C ATOM 661 OG1 THR A 44 -1.782 8.232 0.117 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.325 9.359 -1.949 1.00 0.00 C ATOM 0 H THR A 44 -4.537 9.627 -2.166 1.00 0.00 H new ATOM 0 HA THR A 44 -4.500 7.502 -0.016 1.00 0.00 H new ATOM 0 HB THR A 44 -2.646 7.272 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.873 8.102 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.307 9.208 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.013 9.345 -2.795 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.392 10.322 -1.443 1.00 0.00 H new ATOM 916 N PHE A 61 5.025 9.192 -7.752 1.00 0.00 N ATOM 917 CA PHE A 61 4.566 8.806 -6.400 1.00 0.00 C ATOM 918 C PHE A 61 4.166 7.338 -6.490 1.00 0.00 C ATOM 919 O PHE A 61 4.420 6.556 -5.596 1.00 0.00 O ATOM 920 CB PHE A 61 3.381 9.680 -5.984 1.00 0.00 C ATOM 921 CG PHE A 61 3.172 9.599 -4.484 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.202 9.971 -3.598 1.00 0.00 C ATOM 923 CD2 PHE A 61 1.942 9.163 -3.975 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.996 9.902 -2.217 1.00 0.00 C ATOM 925 CE2 PHE A 61 1.744 9.098 -2.593 1.00 0.00 C ATOM 926 CZ PHE A 61 2.769 9.464 -1.715 1.00 0.00 C ATOM 0 HA PHE A 61 5.344 8.946 -5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.561 10.714 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.479 9.354 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.151 10.310 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.148 8.878 -4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.786 10.188 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.795 8.763 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.611 9.408 -0.648 1.00 0.00 H new ATOM 936 N ARG A 62 3.594 6.943 -7.607 1.00 0.00 N ATOM 937 CA ARG A 62 3.249 5.510 -7.789 1.00 0.00 C ATOM 938 C ARG A 62 4.515 4.713 -7.502 1.00 0.00 C ATOM 939 O ARG A 62 4.470 3.627 -6.987 1.00 0.00 O ATOM 940 CB ARG A 62 2.782 5.253 -9.232 1.00 0.00 C ATOM 941 CG ARG A 62 1.861 4.019 -9.271 1.00 0.00 C ATOM 942 CD ARG A 62 1.806 3.437 -10.688 1.00 0.00 C ATOM 943 NE ARG A 62 2.905 2.445 -10.857 1.00 0.00 N ATOM 944 CZ ARG A 62 3.177 1.965 -12.041 1.00 0.00 C ATOM 945 NH1 ARG A 62 2.475 2.341 -13.075 1.00 0.00 N ATOM 946 NH2 ARG A 62 4.151 1.109 -12.192 1.00 0.00 N ATOM 0 H ARG A 62 3.356 7.552 -8.390 1.00 0.00 H new ATOM 0 HA ARG A 62 2.439 5.217 -7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.252 6.126 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.644 5.095 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.225 3.264 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.858 4.295 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.841 2.960 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.904 4.234 -11.425 1.00 0.00 H new ATOM 0 HE ARG A 62 3.445 2.140 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.714 3.010 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.688 1.966 -13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.701 0.814 -11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.362 0.735 -13.117 1.00 0.00 H new ATOM 960 N HIS A 63 5.658 5.273 -7.799 1.00 0.00 N ATOM 961 CA HIS A 63 6.923 4.553 -7.492 1.00 0.00 C ATOM 962 C HIS A 63 6.883 4.198 -6.005 1.00 0.00 C ATOM 963 O HIS A 63 7.360 3.166 -5.579 1.00 0.00 O ATOM 964 CB HIS A 63 8.126 5.461 -7.784 1.00 0.00 C ATOM 965 CG HIS A 63 9.382 4.637 -7.861 1.00 0.00 C ATOM 966 ND1 HIS A 63 9.566 3.657 -8.824 1.00 0.00 N ATOM 967 CD2 HIS A 63 10.530 4.644 -7.108 1.00 0.00 C ATOM 968 CE1 HIS A 63 10.786 3.121 -8.626 1.00 0.00 C ATOM 969 NE2 HIS A 63 11.414 3.687 -7.592 1.00 0.00 N ATOM 0 H HIS A 63 5.768 6.188 -8.236 1.00 0.00 H new ATOM 0 HA HIS A 63 7.022 3.656 -8.104 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.972 5.993 -8.723 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.222 6.215 -7.002 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.718 5.295 -6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.205 2.330 -9.230 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.343 3.465 -7.234 1.00 0.00 H new ATOM 977 N GLY A 64 6.283 5.055 -5.220 1.00 0.00 N ATOM 978 CA GLY A 64 6.164 4.781 -3.753 1.00 0.00 C ATOM 979 C GLY A 64 5.146 3.651 -3.530 1.00 0.00 C ATOM 980 O GLY A 64 5.422 2.670 -2.868 1.00 0.00 O ATOM 0 H GLY A 64 5.869 5.934 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.134 4.499 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.846 5.682 -3.227 1.00 0.00 H new ATOM 984 N PHE A 65 3.971 3.789 -4.091 1.00 0.00 N ATOM 985 CA PHE A 65 2.914 2.742 -3.941 1.00 0.00 C ATOM 986 C PHE A 65 3.326 1.504 -4.741 1.00 0.00 C ATOM 987 O PHE A 65 3.076 0.382 -4.358 1.00 0.00 O ATOM 988 CB PHE A 65 1.613 3.295 -4.556 1.00 0.00 C ATOM 989 CG PHE A 65 0.676 3.818 -3.502 1.00 0.00 C ATOM 990 CD1 PHE A 65 -0.223 2.952 -2.881 1.00 0.00 C ATOM 991 CD2 PHE A 65 0.684 5.176 -3.175 1.00 0.00 C ATOM 992 CE1 PHE A 65 -1.118 3.442 -1.926 1.00 0.00 C ATOM 993 CE2 PHE A 65 -0.212 5.668 -2.228 1.00 0.00 C ATOM 994 CZ PHE A 65 -1.114 4.803 -1.601 1.00 0.00 C ATOM 0 H PHE A 65 3.696 4.594 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 65 2.778 2.485 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.853 4.094 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.117 2.509 -5.126 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.228 1.903 -3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.384 5.844 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.811 2.772 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.210 6.719 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.807 5.185 -0.866 1.00 0.00 H new ATOM 1004 N ASP A 66 3.928 1.716 -5.862 1.00 0.00 N ATOM 1005 CA ASP A 66 4.329 0.576 -6.714 1.00 0.00 C ATOM 1006 C ASP A 66 5.181 -0.380 -5.877 1.00 0.00 C ATOM 1007 O ASP A 66 5.038 -1.586 -5.949 1.00 0.00 O ATOM 1008 CB ASP A 66 5.154 1.087 -7.899 1.00 0.00 C ATOM 1009 CG ASP A 66 5.547 -0.092 -8.792 1.00 0.00 C ATOM 1010 OD1 ASP A 66 6.572 -0.698 -8.523 1.00 0.00 O ATOM 1011 OD2 ASP A 66 4.819 -0.369 -9.731 1.00 0.00 O ATOM 0 H ASP A 66 4.163 2.637 -6.231 1.00 0.00 H new ATOM 0 HA ASP A 66 3.444 0.061 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.577 1.814 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.047 1.599 -7.541 1.00 0.00 H new ATOM 1016 N ILE A 67 6.061 0.154 -5.074 1.00 0.00 N ATOM 1017 CA ILE A 67 6.922 -0.702 -4.216 1.00 0.00 C ATOM 1018 C ILE A 67 6.065 -1.468 -3.202 1.00 0.00 C ATOM 1019 O ILE A 67 6.014 -2.686 -3.210 1.00 0.00 O ATOM 1020 CB ILE A 67 7.905 0.199 -3.468 1.00 0.00 C ATOM 1021 CG1 ILE A 67 8.812 0.942 -4.490 1.00 0.00 C ATOM 1022 CG2 ILE A 67 8.735 -0.647 -2.494 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.142 0.202 -4.702 1.00 0.00 C ATOM 0 H ILE A 67 6.220 1.157 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 67 7.457 -1.421 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 67 7.362 0.947 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.290 1.034 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.009 1.954 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.436 -0.005 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.072 -1.134 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.288 -1.404 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.752 0.748 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.675 0.133 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.944 -0.801 -5.081 1.00 0.00 H new ATOM 1035 N LEU A 68 5.413 -0.767 -2.309 1.00 0.00 N ATOM 1036 CA LEU A 68 4.590 -1.465 -1.283 1.00 0.00 C ATOM 1037 C LEU A 68 3.595 -2.420 -1.967 1.00 0.00 C ATOM 1038 O LEU A 68 3.465 -3.564 -1.575 1.00 0.00 O ATOM 1039 CB LEU A 68 3.912 -0.425 -0.351 1.00 0.00 C ATOM 1040 CG LEU A 68 2.683 0.262 -0.991 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.388 -0.513 -0.668 1.00 0.00 C ATOM 1042 CD2 LEU A 68 2.563 1.706 -0.431 1.00 0.00 C ATOM 0 H LEU A 68 5.416 0.251 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 68 5.223 -2.084 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.604 -0.920 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.642 0.336 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 68 2.817 0.280 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.538 -0.010 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.464 -1.528 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.246 -0.549 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.699 2.198 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.440 1.667 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.466 2.267 -0.674 1.00 0.00 H new ATOM 1054 N VAL A 69 2.914 -1.989 -2.995 1.00 0.00 N ATOM 1055 CA VAL A 69 1.966 -2.912 -3.695 1.00 0.00 C ATOM 1056 C VAL A 69 2.749 -4.030 -4.401 1.00 0.00 C ATOM 1057 O VAL A 69 2.188 -5.024 -4.816 1.00 0.00 O ATOM 1058 CB VAL A 69 1.118 -2.108 -4.728 1.00 0.00 C ATOM 1059 CG1 VAL A 69 1.534 -2.392 -6.184 1.00 0.00 C ATOM 1060 CG2 VAL A 69 -0.361 -2.461 -4.568 1.00 0.00 C ATOM 0 H VAL A 69 2.970 -1.046 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 69 1.296 -3.364 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 69 1.292 -1.051 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.912 -1.807 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.580 -2.118 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.405 -3.453 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.950 -1.897 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.501 -3.528 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.688 -2.209 -3.559 1.00 0.00 H new ATOM 1070 N GLY A 70 4.020 -3.842 -4.599 1.00 0.00 N ATOM 1071 CA GLY A 70 4.808 -4.859 -5.344 1.00 0.00 C ATOM 1072 C GLY A 70 4.929 -6.164 -4.562 1.00 0.00 C ATOM 1073 O GLY A 70 4.559 -7.213 -5.049 1.00 0.00 O ATOM 0 H GLY A 70 4.548 -3.030 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.334 -5.054 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.803 -4.467 -5.553 1.00 0.00 H new ATOM 1077 N GLN A 71 5.456 -6.132 -3.374 1.00 0.00 N ATOM 1078 CA GLN A 71 5.598 -7.410 -2.620 1.00 0.00 C ATOM 1079 C GLN A 71 4.233 -7.885 -2.136 1.00 0.00 C ATOM 1080 O GLN A 71 4.013 -9.064 -1.932 1.00 0.00 O ATOM 1081 CB GLN A 71 6.529 -7.219 -1.425 1.00 0.00 C ATOM 1082 CG GLN A 71 6.076 -6.008 -0.599 1.00 0.00 C ATOM 1083 CD GLN A 71 6.719 -6.061 0.790 1.00 0.00 C ATOM 1084 OE1 GLN A 71 7.048 -5.039 1.358 1.00 0.00 O ATOM 1085 NE2 GLN A 71 6.910 -7.217 1.362 1.00 0.00 N ATOM 0 H GLN A 71 5.790 -5.295 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 71 6.025 -8.161 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.527 -8.115 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.553 -7.073 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.357 -5.085 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.990 -6.004 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.633 -8.074 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.336 -7.264 2.288 1.00 0.00 H new ATOM 1094 N ILE A 72 3.314 -6.989 -1.951 1.00 0.00 N ATOM 1095 CA ILE A 72 1.973 -7.398 -1.487 1.00 0.00 C ATOM 1096 C ILE A 72 1.360 -8.349 -2.512 1.00 0.00 C ATOM 1097 O ILE A 72 1.022 -9.473 -2.207 1.00 0.00 O ATOM 1098 CB ILE A 72 1.132 -6.139 -1.367 1.00 0.00 C ATOM 1099 CG1 ILE A 72 1.705 -5.261 -0.231 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -0.331 -6.506 -1.104 1.00 0.00 C ATOM 1101 CD1 ILE A 72 1.099 -5.656 1.122 1.00 0.00 C ATOM 0 H ILE A 72 3.436 -5.988 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 72 2.023 -7.910 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 72 1.167 -5.575 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.789 -5.368 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.495 -4.211 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.925 -5.596 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.708 -7.110 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.403 -7.073 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.517 -5.025 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.017 -5.525 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.331 -6.700 1.334 1.00 0.00 H new ATOM 1113 N ASP A 73 1.242 -7.921 -3.735 1.00 0.00 N ATOM 1114 CA ASP A 73 0.684 -8.824 -4.775 1.00 0.00 C ATOM 1115 C ASP A 73 1.536 -10.073 -4.805 1.00 0.00 C ATOM 1116 O ASP A 73 1.053 -11.160 -5.003 1.00 0.00 O ATOM 1117 CB ASP A 73 0.762 -8.149 -6.145 1.00 0.00 C ATOM 1118 CG ASP A 73 -0.121 -8.898 -7.144 1.00 0.00 C ATOM 1119 OD1 ASP A 73 -0.091 -10.117 -7.134 1.00 0.00 O ATOM 1120 OD2 ASP A 73 -0.809 -8.240 -7.907 1.00 0.00 O ATOM 0 H ASP A 73 1.506 -6.990 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.356 -9.058 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.439 -7.111 -6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.794 -8.137 -6.496 1.00 0.00 H new ATOM 1125 N ASP A 74 2.813 -9.942 -4.616 1.00 0.00 N ATOM 1126 CA ASP A 74 3.632 -11.159 -4.658 1.00 0.00 C ATOM 1127 C ASP A 74 3.165 -12.071 -3.533 1.00 0.00 C ATOM 1128 O ASP A 74 3.335 -13.271 -3.577 1.00 0.00 O ATOM 1129 CB ASP A 74 5.109 -10.808 -4.514 1.00 0.00 C ATOM 1130 CG ASP A 74 5.955 -12.079 -4.624 1.00 0.00 C ATOM 1131 OD1 ASP A 74 6.125 -12.742 -3.614 1.00 0.00 O ATOM 1132 OD2 ASP A 74 6.420 -12.366 -5.714 1.00 0.00 O ATOM 0 H ASP A 74 3.308 -9.068 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 74 3.517 -11.669 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.401 -10.097 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.286 -10.324 -3.553 1.00 0.00 H new ATOM 1137 N ALA A 75 2.514 -11.517 -2.546 1.00 0.00 N ATOM 1138 CA ALA A 75 1.976 -12.374 -1.465 1.00 0.00 C ATOM 1139 C ALA A 75 0.804 -13.130 -2.083 1.00 0.00 C ATOM 1140 O ALA A 75 0.561 -14.288 -1.808 1.00 0.00 O ATOM 1141 CB ALA A 75 1.497 -11.525 -0.293 1.00 0.00 C ATOM 0 H ALA A 75 2.335 -10.518 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 75 2.737 -13.051 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.105 -12.174 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.331 -10.944 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.711 -10.849 -0.631 1.00 0.00 H new ATOM 1147 N LEU A 76 0.113 -12.464 -2.970 1.00 0.00 N ATOM 1148 CA LEU A 76 -1.021 -13.090 -3.699 1.00 0.00 C ATOM 1149 C LEU A 76 -0.453 -14.309 -4.414 1.00 0.00 C ATOM 1150 O LEU A 76 -1.046 -15.365 -4.481 1.00 0.00 O ATOM 1151 CB LEU A 76 -1.536 -12.057 -4.721 1.00 0.00 C ATOM 1152 CG LEU A 76 -2.958 -12.387 -5.194 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -3.530 -11.172 -5.939 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -2.949 -13.608 -6.132 1.00 0.00 C ATOM 0 H LEU A 76 0.294 -11.492 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.840 -13.387 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.523 -11.064 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.865 -12.028 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.576 -12.622 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.541 -11.397 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.555 -10.313 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.900 -10.943 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.967 -13.825 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.329 -13.394 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.545 -14.471 -5.602 1.00 0.00 H new ATOM 1166 N LYS A 77 0.724 -14.140 -4.931 1.00 0.00 N ATOM 1167 CA LYS A 77 1.428 -15.226 -5.650 1.00 0.00 C ATOM 1168 C LYS A 77 1.777 -16.365 -4.688 1.00 0.00 C ATOM 1169 O LYS A 77 1.562 -17.531 -4.960 1.00 0.00 O ATOM 1170 CB LYS A 77 2.710 -14.604 -6.212 1.00 0.00 C ATOM 1171 CG LYS A 77 3.187 -15.345 -7.448 1.00 0.00 C ATOM 1172 CD LYS A 77 4.571 -14.795 -7.842 1.00 0.00 C ATOM 1173 CE LYS A 77 5.658 -15.294 -6.865 1.00 0.00 C ATOM 1174 NZ LYS A 77 5.336 -16.667 -6.379 1.00 0.00 N ATOM 0 H LYS A 77 1.244 -13.264 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 77 0.805 -15.645 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.531 -13.558 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.490 -14.623 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.247 -16.415 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.479 -15.212 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.816 -15.108 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.548 -13.705 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.628 -15.296 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.735 -14.611 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.174 -17.079 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.556 -16.618 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.053 -17.263 -7.183 1.00 0.00 H new ATOM 1188 N LEU A 78 2.329 -16.019 -3.572 1.00 0.00 N ATOM 1189 CA LEU A 78 2.732 -17.021 -2.569 1.00 0.00 C ATOM 1190 C LEU A 78 1.495 -17.769 -2.055 1.00 0.00 C ATOM 1191 O LEU A 78 1.427 -18.975 -2.114 1.00 0.00 O ATOM 1192 CB LEU A 78 3.415 -16.240 -1.447 1.00 0.00 C ATOM 1193 CG LEU A 78 4.941 -16.384 -1.532 1.00 0.00 C ATOM 1194 CD1 LEU A 78 5.452 -15.705 -2.802 1.00 0.00 C ATOM 1195 CD2 LEU A 78 5.574 -15.724 -0.315 1.00 0.00 C ATOM 0 H LEU A 78 2.523 -15.053 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 78 3.406 -17.771 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.141 -15.187 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.064 -16.602 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 78 5.206 -17.441 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.536 -15.809 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.996 -16.174 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.190 -14.647 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.658 -15.823 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.307 -14.667 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.211 -16.208 0.592 1.00 0.00 H new ATOM 1207 N ALA A 79 0.521 -17.063 -1.548 1.00 0.00 N ATOM 1208 CA ALA A 79 -0.708 -17.736 -1.032 1.00 0.00 C ATOM 1209 C ALA A 79 -1.164 -18.809 -2.028 1.00 0.00 C ATOM 1210 O ALA A 79 -1.566 -19.889 -1.644 1.00 0.00 O ATOM 1211 CB ALA A 79 -1.815 -16.696 -0.857 1.00 0.00 C ATOM 0 H ALA A 79 0.522 -16.046 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.492 -18.206 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.715 -17.182 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.490 -15.935 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.030 -16.229 -1.818 1.00 0.00 H new ATOM 1217 N ASN A 80 -1.078 -18.536 -3.304 1.00 0.00 N ATOM 1218 CA ASN A 80 -1.482 -19.568 -4.301 1.00 0.00 C ATOM 1219 C ASN A 80 -0.585 -20.784 -4.089 1.00 0.00 C ATOM 1220 O ASN A 80 -0.982 -21.912 -4.299 1.00 0.00 O ATOM 1221 CB ASN A 80 -1.294 -19.028 -5.724 1.00 0.00 C ATOM 1222 CG ASN A 80 -1.793 -17.583 -5.812 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -2.629 -17.125 -4.918 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 -1.413 -16.857 -6.710 1.00 0.00 N flip ATOM 0 H ASN A 80 -0.749 -17.653 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.532 -19.833 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.241 -19.074 -6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.839 -19.652 -6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.761 -17.210 -7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.747 -15.895 -6.764 1.00 0.00 H new ATOM 1231 N GLU A 81 0.620 -20.553 -3.644 1.00 0.00 N ATOM 1232 CA GLU A 81 1.554 -21.684 -3.380 1.00 0.00 C ATOM 1233 C GLU A 81 1.277 -22.232 -1.969 1.00 0.00 C ATOM 1234 O GLU A 81 1.929 -23.147 -1.506 1.00 0.00 O ATOM 1235 CB GLU A 81 3.003 -21.181 -3.467 1.00 0.00 C ATOM 1236 CG GLU A 81 3.953 -22.360 -3.707 1.00 0.00 C ATOM 1237 CD GLU A 81 3.879 -22.788 -5.175 1.00 0.00 C ATOM 1238 OE1 GLU A 81 3.924 -21.917 -6.028 1.00 0.00 O ATOM 1239 OE2 GLU A 81 3.778 -23.978 -5.420 1.00 0.00 O ATOM 0 H GLU A 81 0.999 -19.626 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 81 1.407 -22.473 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.097 -20.457 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.274 -20.666 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.974 -22.076 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.683 -23.195 -3.060 1.00 0.00 H new ATOM 1246 N GLY A 82 0.286 -21.695 -1.297 1.00 0.00 N ATOM 1247 CA GLY A 82 -0.072 -22.198 0.068 1.00 0.00 C ATOM 1248 C GLY A 82 0.723 -21.480 1.171 1.00 0.00 C ATOM 1249 O GLY A 82 1.193 -22.106 2.101 1.00 0.00 O ATOM 0 H GLY A 82 -0.293 -20.927 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.139 -22.056 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.120 -23.270 0.122 1.00 0.00 H new ATOM 1253 N LYS A 83 0.859 -20.176 1.099 1.00 0.00 N ATOM 1254 CA LYS A 83 1.604 -19.431 2.172 1.00 0.00 C ATOM 1255 C LYS A 83 0.610 -18.724 3.086 1.00 0.00 C ATOM 1256 O LYS A 83 0.517 -17.515 3.111 1.00 0.00 O ATOM 1257 CB LYS A 83 2.509 -18.383 1.537 1.00 0.00 C ATOM 1258 CG LYS A 83 3.474 -19.022 0.524 1.00 0.00 C ATOM 1259 CD LYS A 83 4.057 -20.344 1.046 1.00 0.00 C ATOM 1260 CE LYS A 83 5.234 -20.763 0.161 1.00 0.00 C ATOM 1261 NZ LYS A 83 6.321 -19.749 0.264 1.00 0.00 N ATOM 0 H LYS A 83 0.488 -19.595 0.347 1.00 0.00 H new ATOM 0 HA LYS A 83 2.202 -20.140 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.901 -17.628 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.078 -17.872 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.949 -19.202 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.286 -18.327 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.387 -20.227 2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.291 -21.119 1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.604 -21.741 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.908 -20.858 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.231 -20.230 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.361 -19.193 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.130 -19.116 1.067 1.00 0.00 H new ATOM 1275 N VAL A 84 -0.130 -19.474 3.836 1.00 0.00 N ATOM 1276 CA VAL A 84 -1.129 -18.865 4.760 1.00 0.00 C ATOM 1277 C VAL A 84 -0.437 -17.976 5.800 1.00 0.00 C ATOM 1278 O VAL A 84 -0.907 -16.902 6.120 1.00 0.00 O ATOM 1279 CB VAL A 84 -1.888 -19.975 5.485 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -3.109 -19.383 6.191 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -2.343 -21.021 4.469 1.00 0.00 C ATOM 0 H VAL A 84 -0.091 -20.493 3.854 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.816 -18.254 4.174 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.236 -20.442 6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.650 -20.175 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.784 -18.634 6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.764 -18.917 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.885 -21.815 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.996 -20.553 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.473 -21.442 3.966 1.00 0.00 H new ATOM 1291 N LYS A 85 0.664 -18.419 6.346 1.00 0.00 N ATOM 1292 CA LYS A 85 1.362 -17.601 7.380 1.00 0.00 C ATOM 1293 C LYS A 85 2.064 -16.413 6.727 1.00 0.00 C ATOM 1294 O LYS A 85 1.870 -15.272 7.097 1.00 0.00 O ATOM 1295 CB LYS A 85 2.389 -18.457 8.160 1.00 0.00 C ATOM 1296 CG LYS A 85 3.196 -19.425 7.240 1.00 0.00 C ATOM 1297 CD LYS A 85 4.638 -18.916 7.042 1.00 0.00 C ATOM 1298 CE LYS A 85 5.495 -19.291 8.256 1.00 0.00 C ATOM 1299 NZ LYS A 85 5.830 -20.741 8.198 1.00 0.00 N ATOM 0 H LYS A 85 1.109 -19.309 6.122 1.00 0.00 H new ATOM 0 HA LYS A 85 0.615 -17.233 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.082 -17.797 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.867 -19.037 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.215 -20.422 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.700 -19.513 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.065 -19.349 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.636 -17.834 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.408 -18.696 8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.957 -19.068 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.638 -20.936 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.009 -21.300 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.077 -21.001 7.222 1.00 0.00 H new ATOM 1313 N GLU A 86 2.895 -16.686 5.776 1.00 0.00 N ATOM 1314 CA GLU A 86 3.656 -15.613 5.087 1.00 0.00 C ATOM 1315 C GLU A 86 2.688 -14.603 4.451 1.00 0.00 C ATOM 1316 O GLU A 86 2.882 -13.408 4.547 1.00 0.00 O ATOM 1317 CB GLU A 86 4.539 -16.285 4.011 1.00 0.00 C ATOM 1318 CG GLU A 86 6.011 -15.886 4.188 1.00 0.00 C ATOM 1319 CD GLU A 86 6.179 -14.401 3.857 1.00 0.00 C ATOM 1320 OE1 GLU A 86 5.520 -13.594 4.493 1.00 0.00 O ATOM 1321 OE2 GLU A 86 6.961 -14.097 2.972 1.00 0.00 O ATOM 0 H GLU A 86 3.087 -17.628 5.436 1.00 0.00 H new ATOM 0 HA GLU A 86 4.280 -15.066 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.440 -17.368 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.195 -15.994 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.331 -16.080 5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.643 -16.489 3.536 1.00 0.00 H new ATOM 1328 N ALA A 87 1.657 -15.064 3.801 1.00 0.00 N ATOM 1329 CA ALA A 87 0.706 -14.107 3.169 1.00 0.00 C ATOM 1330 C ALA A 87 0.059 -13.243 4.256 1.00 0.00 C ATOM 1331 O ALA A 87 0.034 -12.033 4.160 1.00 0.00 O ATOM 1332 CB ALA A 87 -0.377 -14.875 2.415 1.00 0.00 C ATOM 0 H ALA A 87 1.432 -16.052 3.680 1.00 0.00 H new ATOM 0 HA ALA A 87 1.246 -13.470 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.070 -14.170 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.084 -15.488 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.920 -15.516 3.110 1.00 0.00 H new ATOM 1338 N GLN A 88 -0.452 -13.848 5.294 1.00 0.00 N ATOM 1339 CA GLN A 88 -1.075 -13.038 6.379 1.00 0.00 C ATOM 1340 C GLN A 88 0.010 -12.150 6.992 1.00 0.00 C ATOM 1341 O GLN A 88 -0.223 -11.005 7.329 1.00 0.00 O ATOM 1342 CB GLN A 88 -1.673 -13.969 7.455 1.00 0.00 C ATOM 1343 CG GLN A 88 -3.139 -14.255 7.123 1.00 0.00 C ATOM 1344 CD GLN A 88 -3.708 -15.270 8.116 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -4.251 -14.848 9.223 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -3.659 -16.460 7.880 1.00 0.00 N flip ATOM 0 H GLN A 88 -0.465 -14.858 5.437 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.879 -12.422 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.110 -14.901 7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.595 -13.504 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.717 -13.332 7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.223 -14.641 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.234 -16.791 7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.043 -17.129 8.548 1.00 0.00 H new ATOM 1355 N ALA A 89 1.202 -12.664 7.118 1.00 0.00 N ATOM 1356 CA ALA A 89 2.304 -11.840 7.681 1.00 0.00 C ATOM 1357 C ALA A 89 2.482 -10.622 6.779 1.00 0.00 C ATOM 1358 O ALA A 89 2.709 -9.516 7.235 1.00 0.00 O ATOM 1359 CB ALA A 89 3.599 -12.656 7.708 1.00 0.00 C ATOM 0 H ALA A 89 1.459 -13.616 6.856 1.00 0.00 H new ATOM 0 HA ALA A 89 2.067 -11.531 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.404 -12.048 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.458 -13.542 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.858 -12.960 6.694 1.00 0.00 H new ATOM 1365 N ALA A 90 2.350 -10.815 5.495 1.00 0.00 N ATOM 1366 CA ALA A 90 2.480 -9.669 4.560 1.00 0.00 C ATOM 1367 C ALA A 90 1.373 -8.667 4.889 1.00 0.00 C ATOM 1368 O ALA A 90 1.472 -7.491 4.607 1.00 0.00 O ATOM 1369 CB ALA A 90 2.312 -10.160 3.120 1.00 0.00 C ATOM 0 H ALA A 90 2.158 -11.716 5.057 1.00 0.00 H new ATOM 0 HA ALA A 90 3.460 -9.204 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.408 -9.318 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.081 -10.899 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.328 -10.613 3.003 1.00 0.00 H new ATOM 1375 N ALA A 91 0.318 -9.142 5.496 1.00 0.00 N ATOM 1376 CA ALA A 91 -0.813 -8.248 5.866 1.00 0.00 C ATOM 1377 C ALA A 91 -0.343 -7.222 6.907 1.00 0.00 C ATOM 1378 O ALA A 91 -0.496 -6.031 6.729 1.00 0.00 O ATOM 1379 CB ALA A 91 -1.957 -9.103 6.435 1.00 0.00 C ATOM 0 H ALA A 91 0.192 -10.121 5.753 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.167 -7.711 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.792 -8.458 6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.285 -9.820 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.607 -9.639 7.317 1.00 0.00 H new ATOM 1385 N GLU A 92 0.222 -7.675 7.997 1.00 0.00 N ATOM 1386 CA GLU A 92 0.689 -6.719 9.044 1.00 0.00 C ATOM 1387 C GLU A 92 1.765 -5.806 8.453 1.00 0.00 C ATOM 1388 O GLU A 92 2.089 -4.772 9.006 1.00 0.00 O ATOM 1389 CB GLU A 92 1.251 -7.504 10.246 1.00 0.00 C ATOM 1390 CG GLU A 92 0.130 -7.783 11.268 1.00 0.00 C ATOM 1391 CD GLU A 92 0.475 -9.023 12.099 1.00 0.00 C ATOM 1392 OE1 GLU A 92 0.558 -10.095 11.521 1.00 0.00 O ATOM 1393 OE2 GLU A 92 0.653 -8.878 13.297 1.00 0.00 O ATOM 0 H GLU A 92 0.379 -8.661 8.206 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.146 -6.107 9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.685 -8.444 9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.052 -6.936 10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.001 -6.921 11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.817 -7.935 10.749 1.00 0.00 H new ATOM 1400 N GLN A 93 2.310 -6.169 7.329 1.00 0.00 N ATOM 1401 CA GLN A 93 3.346 -5.317 6.694 1.00 0.00 C ATOM 1402 C GLN A 93 2.633 -4.116 6.062 1.00 0.00 C ATOM 1403 O GLN A 93 3.062 -2.991 6.200 1.00 0.00 O ATOM 1404 CB GLN A 93 4.132 -6.193 5.669 1.00 0.00 C ATOM 1405 CG GLN A 93 3.926 -5.765 4.204 1.00 0.00 C ATOM 1406 CD GLN A 93 4.650 -4.445 3.953 1.00 0.00 C ATOM 1407 OE1 GLN A 93 5.007 -3.716 4.969 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 4.892 -4.075 2.822 1.00 0.00 N flip ATOM 0 H GLN A 93 2.081 -7.023 6.821 1.00 0.00 H new ATOM 0 HA GLN A 93 4.076 -4.927 7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.195 -6.148 5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.824 -7.233 5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.307 -6.534 3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.862 -5.655 3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.611 -4.649 2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.376 -3.191 2.667 1.00 0.00 H new ATOM 1417 N LEU A 94 1.532 -4.340 5.406 1.00 0.00 N ATOM 1418 CA LEU A 94 0.785 -3.201 4.800 1.00 0.00 C ATOM 1419 C LEU A 94 0.218 -2.315 5.920 1.00 0.00 C ATOM 1420 O LEU A 94 0.200 -1.105 5.824 1.00 0.00 O ATOM 1421 CB LEU A 94 -0.356 -3.740 3.934 1.00 0.00 C ATOM 1422 CG LEU A 94 -0.866 -2.649 2.969 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.218 -2.273 1.935 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -2.105 -3.176 2.233 1.00 0.00 C ATOM 0 H LEU A 94 1.116 -5.260 5.262 1.00 0.00 H new ATOM 0 HA LEU A 94 1.456 -2.610 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.012 -4.604 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.173 -4.082 4.570 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.114 -1.759 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.168 -1.502 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.100 -1.896 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.488 -3.155 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.474 -2.412 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.840 -4.071 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.882 -3.419 2.957 1.00 0.00 H new ATOM 1436 N LYS A 95 -0.248 -2.915 6.983 1.00 0.00 N ATOM 1437 CA LYS A 95 -0.814 -2.114 8.112 1.00 0.00 C ATOM 1438 C LYS A 95 0.231 -1.115 8.616 1.00 0.00 C ATOM 1439 O LYS A 95 0.103 0.090 8.457 1.00 0.00 O ATOM 1440 CB LYS A 95 -1.192 -3.055 9.264 1.00 0.00 C ATOM 1441 CG LYS A 95 -2.435 -3.875 8.882 1.00 0.00 C ATOM 1442 CD LYS A 95 -2.624 -5.089 9.847 1.00 0.00 C ATOM 1443 CE LYS A 95 -3.977 -5.000 10.569 1.00 0.00 C ATOM 1444 NZ LYS A 95 -4.016 -6.006 11.667 1.00 0.00 N ATOM 0 H LYS A 95 -0.262 -3.926 7.120 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.695 -1.577 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.360 -3.722 9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.390 -2.478 10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.319 -3.238 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.338 -4.233 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.567 -6.020 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.816 -5.108 10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.121 -3.998 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.790 -5.180 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.833 -5.817 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.101 -6.960 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.141 -5.944 12.226 1.00 0.00 H new ATOM 1458 N THR A 96 1.259 -1.611 9.243 1.00 0.00 N ATOM 1459 CA THR A 96 2.307 -0.710 9.786 1.00 0.00 C ATOM 1460 C THR A 96 3.017 0.027 8.644 1.00 0.00 C ATOM 1461 O THR A 96 3.570 1.087 8.851 1.00 0.00 O ATOM 1462 CB THR A 96 3.321 -1.539 10.598 1.00 0.00 C ATOM 1463 OG1 THR A 96 2.651 -2.645 11.188 1.00 0.00 O ATOM 1464 CG2 THR A 96 3.945 -0.679 11.705 1.00 0.00 C ATOM 0 H THR A 96 1.418 -2.606 9.403 1.00 0.00 H new ATOM 0 HA THR A 96 1.844 0.031 10.437 1.00 0.00 H new ATOM 0 HB THR A 96 4.110 -1.889 9.932 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.291 -3.178 11.705 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.659 -1.277 12.271 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.458 0.173 11.258 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.162 -0.321 12.373 1.00 0.00 H new ATOM 1472 N THR A 97 3.014 -0.504 7.440 1.00 0.00 N ATOM 1473 CA THR A 97 3.704 0.220 6.323 1.00 0.00 C ATOM 1474 C THR A 97 3.252 1.676 6.345 1.00 0.00 C ATOM 1475 O THR A 97 4.039 2.572 6.502 1.00 0.00 O ATOM 1476 CB THR A 97 3.343 -0.396 4.960 1.00 0.00 C ATOM 1477 OG1 THR A 97 4.130 -1.549 4.746 1.00 0.00 O ATOM 1478 CG2 THR A 97 3.611 0.599 3.817 1.00 0.00 C ATOM 0 H THR A 97 2.573 -1.388 7.187 1.00 0.00 H new ATOM 0 HA THR A 97 4.782 0.142 6.461 1.00 0.00 H new ATOM 0 HB THR A 97 2.283 -0.649 4.969 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.789 -2.284 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.348 0.139 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.009 1.495 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.667 0.869 3.810 1.00 0.00 H new ATOM 1486 N ILE A 98 1.980 1.901 6.182 1.00 0.00 N ATOM 1487 CA ILE A 98 1.440 3.284 6.198 1.00 0.00 C ATOM 1488 C ILE A 98 1.831 3.975 7.510 1.00 0.00 C ATOM 1489 O ILE A 98 2.448 5.020 7.508 1.00 0.00 O ATOM 1490 CB ILE A 98 -0.100 3.187 6.043 1.00 0.00 C ATOM 1491 CG1 ILE A 98 -0.487 2.978 4.539 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -0.803 4.434 6.607 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -1.029 1.558 4.318 1.00 0.00 C ATOM 0 H ILE A 98 1.282 1.172 6.036 1.00 0.00 H new ATOM 0 HA ILE A 98 1.850 3.879 5.382 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.437 2.325 6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.238 3.711 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.385 3.144 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.881 4.332 6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.569 4.536 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.458 5.319 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.293 1.429 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.265 0.830 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.914 1.406 4.936 1.00 0.00 H new ATOM 1505 N ARG A 99 1.466 3.422 8.630 1.00 0.00 N ATOM 1506 CA ARG A 99 1.805 4.080 9.914 1.00 0.00 C ATOM 1507 C ARG A 99 3.329 4.265 10.048 1.00 0.00 C ATOM 1508 O ARG A 99 3.803 5.347 10.339 1.00 0.00 O ATOM 1509 CB ARG A 99 1.272 3.192 11.043 1.00 0.00 C ATOM 1510 CG ARG A 99 0.869 4.034 12.254 1.00 0.00 C ATOM 1511 CD ARG A 99 2.113 4.576 12.969 1.00 0.00 C ATOM 1512 NE ARG A 99 3.076 3.469 13.223 1.00 0.00 N ATOM 1513 CZ ARG A 99 4.310 3.743 13.550 1.00 0.00 C ATOM 1514 NH1 ARG A 99 4.699 4.984 13.648 1.00 0.00 N ATOM 1515 NH2 ARG A 99 5.156 2.774 13.777 1.00 0.00 N ATOM 0 H ARG A 99 0.950 2.546 8.710 1.00 0.00 H new ATOM 0 HA ARG A 99 1.353 5.071 9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.413 2.623 10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.035 2.470 11.334 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.236 4.862 11.934 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.280 3.430 12.944 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.585 5.348 12.361 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.827 5.043 13.911 1.00 0.00 H new ATOM 0 HE ARG A 99 2.772 2.499 13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.039 5.741 13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.663 5.198 13.904 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.853 1.803 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.120 2.988 14.032 1.00 0.00 H new ATOM 1529 N ALA A 100 4.099 3.227 9.846 1.00 0.00 N ATOM 1530 CA ALA A 100 5.586 3.365 9.974 1.00 0.00 C ATOM 1531 C ALA A 100 6.092 4.366 8.935 1.00 0.00 C ATOM 1532 O ALA A 100 7.068 5.061 9.137 1.00 0.00 O ATOM 1533 CB ALA A 100 6.257 2.009 9.745 1.00 0.00 C ATOM 0 H ALA A 100 3.768 2.294 9.599 1.00 0.00 H new ATOM 0 HA ALA A 100 5.830 3.719 10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.337 2.117 9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.897 1.295 10.486 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.015 1.647 8.746 1.00 0.00 H new ATOM 1539 N TYR A 101 5.410 4.450 7.833 1.00 0.00 N ATOM 1540 CA TYR A 101 5.795 5.407 6.762 1.00 0.00 C ATOM 1541 C TYR A 101 5.427 6.803 7.251 1.00 0.00 C ATOM 1542 O TYR A 101 5.684 7.784 6.590 1.00 0.00 O ATOM 1543 CB TYR A 101 4.986 5.084 5.481 1.00 0.00 C ATOM 1544 CG TYR A 101 5.627 3.975 4.661 1.00 0.00 C ATOM 1545 CD1 TYR A 101 6.455 3.020 5.268 1.00 0.00 C ATOM 1546 CD2 TYR A 101 5.384 3.904 3.274 1.00 0.00 C ATOM 1547 CE1 TYR A 101 7.041 2.006 4.498 1.00 0.00 C ATOM 1548 CE2 TYR A 101 5.971 2.887 2.511 1.00 0.00 C ATOM 1549 CZ TYR A 101 6.800 1.941 3.122 1.00 0.00 C ATOM 1550 OH TYR A 101 7.378 0.939 2.368 1.00 0.00 O ATOM 0 H TYR A 101 4.586 3.886 7.624 1.00 0.00 H new ATOM 0 HA TYR A 101 6.860 5.341 6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.973 4.790 5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.902 5.983 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.642 3.066 6.331 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.745 4.634 2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.680 1.273 4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.783 2.833 1.449 1.00 0.00 H new ATOM 0 HH TYR A 101 7.108 1.037 1.431 1.00 0.00 H new ATOM 1560 N ASN A 102 4.761 6.854 8.386 1.00 0.00 N ATOM 1561 CA ASN A 102 4.261 8.138 8.970 1.00 0.00 C ATOM 1562 C ASN A 102 2.870 8.304 8.402 1.00 0.00 C ATOM 1563 O ASN A 102 2.622 9.190 7.608 1.00 0.00 O ATOM 1564 CB ASN A 102 5.123 9.349 8.576 1.00 0.00 C ATOM 1565 CG ASN A 102 4.749 10.533 9.466 1.00 0.00 C ATOM 1566 OD1 ASN A 102 5.415 10.812 10.443 1.00 0.00 O ATOM 1567 ND2 ASN A 102 3.696 11.245 9.162 1.00 0.00 N ATOM 0 H ASN A 102 4.539 6.030 8.945 1.00 0.00 H new ATOM 0 HA ASN A 102 4.288 8.096 10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.181 9.112 8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.963 9.600 7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.431 12.038 9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.139 11.007 8.341 1.00 0.00 H new ATOM 1574 N GLN A 103 1.965 7.418 8.747 1.00 0.00 N ATOM 1575 CA GLN A 103 0.617 7.484 8.160 1.00 0.00 C ATOM 1576 C GLN A 103 0.804 7.649 6.651 1.00 0.00 C ATOM 1577 O GLN A 103 0.349 8.593 6.035 1.00 0.00 O ATOM 1578 CB GLN A 103 -0.125 8.657 8.777 1.00 0.00 C ATOM 1579 CG GLN A 103 -0.937 8.178 9.986 1.00 0.00 C ATOM 1580 CD GLN A 103 -2.103 7.320 9.498 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -2.178 7.018 8.232 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -2.951 6.922 10.272 1.00 0.00 N flip ATOM 0 H GLN A 103 2.115 6.658 9.410 1.00 0.00 H new ATOM 0 HA GLN A 103 0.027 6.588 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.583 9.426 9.084 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.787 9.110 8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.303 7.602 10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.310 9.032 10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.890 7.160 11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.724 6.350 9.932 1.00 0.00 H new ATOM 1591 N LYS A 104 1.512 6.710 6.088 1.00 0.00 N ATOM 1592 CA LYS A 104 1.819 6.705 4.651 1.00 0.00 C ATOM 1593 C LYS A 104 2.572 7.990 4.289 1.00 0.00 C ATOM 1594 O LYS A 104 3.786 7.987 4.247 1.00 0.00 O ATOM 1595 CB LYS A 104 0.507 6.509 3.899 1.00 0.00 C ATOM 1596 CG LYS A 104 0.636 6.879 2.420 1.00 0.00 C ATOM 1597 CD LYS A 104 1.898 6.218 1.828 1.00 0.00 C ATOM 1598 CE LYS A 104 1.756 6.100 0.310 1.00 0.00 C ATOM 1599 NZ LYS A 104 3.038 5.615 -0.273 1.00 0.00 N ATOM 0 H LYS A 104 1.902 5.917 6.598 1.00 0.00 H new ATOM 0 HA LYS A 104 2.481 5.888 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.190 5.470 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.270 7.119 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.249 6.551 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.695 7.962 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.780 6.809 2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.043 5.231 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.948 5.412 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.493 7.067 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.941 5.535 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.798 6.288 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.271 4.683 0.126 1.00 0.00 H new ATOM 1613 N TYR A 105 1.907 9.086 4.054 1.00 0.00 N ATOM 1614 CA TYR A 105 2.653 10.347 3.728 1.00 0.00 C ATOM 1615 C TYR A 105 1.895 11.543 4.313 1.00 0.00 C ATOM 1616 O TYR A 105 2.199 12.684 4.028 1.00 0.00 O ATOM 1617 CB TYR A 105 2.803 10.496 2.189 1.00 0.00 C ATOM 1618 CG TYR A 105 4.271 10.520 1.800 1.00 0.00 C ATOM 1619 CD1 TYR A 105 5.013 9.335 1.805 1.00 0.00 C ATOM 1620 CD2 TYR A 105 4.883 11.728 1.446 1.00 0.00 C ATOM 1621 CE1 TYR A 105 6.368 9.356 1.458 1.00 0.00 C ATOM 1622 CE2 TYR A 105 6.239 11.749 1.095 1.00 0.00 C ATOM 1623 CZ TYR A 105 6.981 10.562 1.102 1.00 0.00 C ATOM 1624 OH TYR A 105 8.319 10.583 0.758 1.00 0.00 O ATOM 0 H TYR A 105 0.891 9.170 4.072 1.00 0.00 H new ATOM 0 HA TYR A 105 3.651 10.306 4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 105 2.301 9.669 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.317 11.414 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 105 4.540 8.403 2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.310 12.643 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.941 8.441 1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.712 12.680 0.819 1.00 0.00 H new ATOM 0 HH TYR A 105 8.586 11.500 0.537 1.00 0.00 H new ATOM 1634 N GLY A 106 0.912 11.288 5.126 1.00 0.00 N ATOM 1635 CA GLY A 106 0.134 12.403 5.726 1.00 0.00 C ATOM 1636 C GLY A 106 -0.921 12.884 4.736 1.00 0.00 C ATOM 1637 O GLY A 106 -1.197 14.073 4.722 1.00 0.00 O ATOM 1638 OXT GLY A 106 -1.431 12.056 4.006 1.00 0.00 O ATOM 0 H GLY A 106 0.613 10.353 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.343 12.071 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.801 13.224 5.989 1.00 0.00 H new