USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 MET CE :methyl -162:sc= -0.0384 (180deg=-0.412) USER MOD Set 2.1: A 3 MET CE :methyl 151:sc= 0 (180deg=0) USER MOD Set 2.2: A 9 THR OG1 : rot -79:sc= 0.965 USER MOD Set 2.3: A 19 HIS : no HD1:sc= 1.57 K(o=2.5,f=-16!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 5 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.25) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 30:sc= -1.52! USER MOD Single : A 13 GLN : amide:sc= -0.885 K(o=-0.88,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.671) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 173:sc= -1.92! (180deg=-2.17!) USER MOD Single : A 30 ASN : amide:sc= -2.03! C(o=-2!,f=-14!) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 1.13 (180deg=1.12) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 35:sc= 0.0443 USER MOD Single : A 37 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.086) USER MOD Single : A 38 MET CE :methyl 151:sc= -2.44 (180deg=-3.85!) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.13) USER MOD Single : A 44 MET CE :methyl -161:sc= -0.138 (180deg=-0.716) USER MOD Single : A 46 THR OG1 : rot 159:sc= -0.383 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -165:sc= -0.385 (180deg=-1.24) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.07) USER MOD Single : A 57 ASN : amide:sc= -2! K(o=-2!,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 31 N MET A 3 9.905 1.238 9.185 1.00 0.96 N ATOM 32 CA MET A 3 8.557 1.613 9.588 1.00 0.96 C ATOM 33 C MET A 3 8.559 2.933 10.351 1.00 0.91 C ATOM 34 O MET A 3 7.513 3.428 10.763 1.00 1.26 O ATOM 35 CB MET A 3 7.954 0.515 10.459 1.00 1.43 C ATOM 36 CG MET A 3 7.937 -0.831 9.773 1.00 1.59 C ATOM 37 SD MET A 3 7.003 -0.803 8.233 1.00 2.01 S ATOM 38 CE MET A 3 7.813 -2.128 7.352 1.00 2.17 C ATOM 0 HA MET A 3 7.955 1.739 8.688 1.00 0.96 H new ATOM 0 HB2 MET A 3 8.523 0.439 11.386 1.00 1.43 H new ATOM 0 HB3 MET A 3 6.936 0.792 10.732 1.00 1.43 H new ATOM 0 HG2 MET A 3 8.961 -1.145 9.569 1.00 1.59 H new ATOM 0 HG3 MET A 3 7.504 -1.573 10.444 1.00 1.59 H new ATOM 0 HE1 MET A 3 7.107 -2.591 6.662 1.00 2.17 H new ATOM 0 HE2 MET A 3 8.659 -1.729 6.792 1.00 2.17 H new ATOM 0 HE3 MET A 3 8.168 -2.874 8.063 1.00 2.17 H new ATOM 48 N SER A 4 9.737 3.525 10.492 1.00 0.78 N ATOM 49 CA SER A 4 9.914 4.707 11.321 1.00 0.78 C ATOM 50 C SER A 4 9.499 5.959 10.574 1.00 0.72 C ATOM 51 O SER A 4 9.431 7.052 11.136 1.00 0.81 O ATOM 52 CB SER A 4 11.372 4.816 11.752 1.00 0.86 C ATOM 53 OG SER A 4 12.238 4.500 10.675 1.00 1.47 O ATOM 0 H SER A 4 10.591 3.201 10.038 1.00 0.78 H new ATOM 0 HA SER A 4 9.280 4.611 12.202 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.577 5.826 12.106 1.00 0.86 H new ATOM 0 HB3 SER A 4 11.561 4.141 12.587 1.00 0.86 H new ATOM 0 HG SER A 4 13.169 4.577 10.971 1.00 1.47 H new ATOM 59 N ASN A 5 9.207 5.785 9.303 1.00 0.64 N ATOM 60 CA ASN A 5 8.789 6.881 8.460 1.00 0.64 C ATOM 61 C ASN A 5 7.526 6.493 7.741 1.00 0.57 C ATOM 62 O ASN A 5 7.103 7.126 6.785 1.00 0.68 O ATOM 63 CB ASN A 5 9.885 7.238 7.461 1.00 0.69 C ATOM 64 CG ASN A 5 10.507 6.033 6.758 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.696 6.041 6.439 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.724 4.994 6.502 1.00 1.24 N ATOM 0 H ASN A 5 9.253 4.884 8.828 1.00 0.64 H new ATOM 0 HA ASN A 5 8.600 7.760 9.077 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.471 7.910 6.709 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.670 7.787 7.981 1.00 0.69 H new ATOM 0 HD21 ASN A 5 10.103 4.174 6.029 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.742 5.015 6.778 1.00 1.24 H new ATOM 73 N VAL A 6 6.966 5.403 8.199 1.00 0.44 N ATOM 74 CA VAL A 6 5.806 4.823 7.575 1.00 0.40 C ATOM 75 C VAL A 6 4.606 4.814 8.516 1.00 0.40 C ATOM 76 O VAL A 6 4.721 4.465 9.689 1.00 0.47 O ATOM 77 CB VAL A 6 6.173 3.417 7.057 1.00 0.43 C ATOM 78 CG1 VAL A 6 5.117 2.384 7.372 1.00 0.98 C ATOM 79 CG2 VAL A 6 6.432 3.487 5.568 1.00 1.25 C ATOM 0 H VAL A 6 7.302 4.893 9.016 1.00 0.44 H new ATOM 0 HA VAL A 6 5.501 5.434 6.726 1.00 0.40 H new ATOM 0 HB VAL A 6 7.076 3.094 7.575 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.429 1.414 6.984 1.00 0.98 H new ATOM 0 HG12 VAL A 6 4.984 2.317 8.452 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.174 2.674 6.908 1.00 0.98 H new ATOM 0 HG21 VAL A 6 6.692 2.496 5.197 1.00 1.25 H new ATOM 0 HG22 VAL A 6 5.536 3.842 5.059 1.00 1.25 H new ATOM 0 HG23 VAL A 6 7.255 4.174 5.374 1.00 1.25 H new ATOM 89 N VAL A 7 3.462 5.240 7.990 1.00 0.38 N ATOM 90 CA VAL A 7 2.233 5.315 8.786 1.00 0.41 C ATOM 91 C VAL A 7 1.463 4.001 8.751 1.00 0.37 C ATOM 92 O VAL A 7 0.723 3.679 9.681 1.00 0.42 O ATOM 93 CB VAL A 7 1.288 6.457 8.337 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.953 7.811 8.508 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.823 6.264 6.898 1.00 1.03 C ATOM 0 H VAL A 7 3.356 5.538 7.020 1.00 0.38 H new ATOM 0 HA VAL A 7 2.563 5.525 9.804 1.00 0.41 H new ATOM 0 HB VAL A 7 0.407 6.424 8.978 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.269 8.596 8.186 1.00 0.94 H new ATOM 0 HG12 VAL A 7 2.209 7.961 9.557 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.860 7.850 7.904 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.162 7.083 6.616 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.688 6.251 6.235 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.287 5.319 6.813 1.00 1.03 H new ATOM 105 N LYS A 8 1.649 3.242 7.682 1.00 0.34 N ATOM 106 CA LYS A 8 0.952 1.975 7.521 1.00 0.35 C ATOM 107 C LYS A 8 1.555 1.158 6.397 1.00 0.31 C ATOM 108 O LYS A 8 1.864 1.675 5.325 1.00 0.35 O ATOM 109 CB LYS A 8 -0.544 2.199 7.257 1.00 0.44 C ATOM 110 CG LYS A 8 -1.337 0.907 7.123 1.00 0.50 C ATOM 111 CD LYS A 8 -1.264 0.080 8.395 1.00 0.57 C ATOM 112 CE LYS A 8 -1.939 -1.270 8.223 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.714 -2.150 9.402 1.00 1.41 N ATOM 0 H LYS A 8 2.276 3.481 6.914 1.00 0.34 H new ATOM 0 HA LYS A 8 1.065 1.421 8.453 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -0.964 2.791 8.070 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.660 2.784 6.344 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.378 1.138 6.896 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.950 0.326 6.286 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.221 -0.067 8.675 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.739 0.624 9.211 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.009 -1.126 8.075 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.556 -1.757 7.326 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -2.189 -3.063 9.250 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.694 -2.307 9.528 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -2.102 -1.696 10.253 1.00 1.41 H new ATOM 127 N THR A 9 1.727 -0.113 6.669 1.00 0.33 N ATOM 128 CA THR A 9 2.220 -1.056 5.694 1.00 0.32 C ATOM 129 C THR A 9 1.135 -2.079 5.357 1.00 0.35 C ATOM 130 O THR A 9 0.334 -2.462 6.209 1.00 0.39 O ATOM 131 CB THR A 9 3.483 -1.751 6.231 1.00 0.33 C ATOM 132 OG1 THR A 9 4.544 -0.797 6.350 1.00 0.40 O ATOM 133 CG2 THR A 9 3.918 -2.917 5.349 1.00 0.33 C ATOM 0 H THR A 9 1.527 -0.525 7.580 1.00 0.33 H new ATOM 0 HA THR A 9 2.482 -0.524 4.779 1.00 0.32 H new ATOM 0 HB THR A 9 3.245 -2.162 7.212 1.00 0.33 H new ATOM 0 HG1 THR A 9 4.941 -0.637 5.468 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.813 -3.376 5.768 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.119 -3.656 5.303 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.133 -2.553 4.345 1.00 0.33 H new ATOM 141 N TYR A 10 1.104 -2.490 4.106 1.00 0.37 N ATOM 142 CA TYR A 10 0.156 -3.476 3.642 1.00 0.42 C ATOM 143 C TYR A 10 0.852 -4.675 3.095 1.00 0.38 C ATOM 144 O TYR A 10 1.784 -4.571 2.301 1.00 0.35 O ATOM 145 CB TYR A 10 -0.791 -2.886 2.609 1.00 0.47 C ATOM 146 CG TYR A 10 -1.901 -2.121 3.259 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.836 -2.788 4.027 1.00 0.70 C ATOM 148 CD2 TYR A 10 -2.000 -0.749 3.138 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.850 -2.112 4.660 1.00 0.84 C ATOM 150 CE2 TYR A 10 -3.010 -0.054 3.775 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.938 -0.742 4.533 1.00 0.91 C ATOM 152 OH TYR A 10 -4.947 -0.053 5.173 1.00 1.06 O ATOM 0 H TYR A 10 1.737 -2.148 3.383 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.437 -3.791 4.501 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.237 -2.228 1.939 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.208 -3.686 1.997 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.768 -3.861 4.131 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.279 -0.213 2.538 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.574 -2.650 5.254 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -3.074 1.020 3.681 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.196 -0.526 5.995 1.00 1.06 H new ATOM 162 N ASP A 11 0.388 -5.812 3.537 1.00 0.42 N ATOM 163 CA ASP A 11 0.961 -7.059 3.105 1.00 0.42 C ATOM 164 C ASP A 11 0.016 -7.713 2.131 1.00 0.39 C ATOM 165 O ASP A 11 -1.163 -7.925 2.420 1.00 0.40 O ATOM 166 CB ASP A 11 1.257 -7.995 4.277 1.00 0.52 C ATOM 167 CG ASP A 11 2.255 -9.085 3.910 1.00 1.25 C ATOM 168 OD1 ASP A 11 3.480 -8.834 3.978 1.00 1.69 O ATOM 169 OD2 ASP A 11 1.826 -10.208 3.575 1.00 1.94 O ATOM 0 H ASP A 11 -0.385 -5.902 4.196 1.00 0.42 H new ATOM 0 HA ASP A 11 1.916 -6.853 2.622 1.00 0.42 H new ATOM 0 HB2 ASP A 11 1.648 -7.414 5.113 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.328 -8.455 4.615 1.00 0.52 H new ATOM 174 N LEU A 12 0.555 -8.026 0.986 1.00 0.38 N ATOM 175 CA LEU A 12 -0.214 -8.650 -0.070 1.00 0.41 C ATOM 176 C LEU A 12 -0.300 -10.130 0.232 1.00 0.54 C ATOM 177 O LEU A 12 0.584 -10.672 0.890 1.00 1.50 O ATOM 178 CB LEU A 12 0.419 -8.423 -1.447 1.00 0.40 C ATOM 179 CG LEU A 12 0.639 -6.961 -1.844 1.00 0.46 C ATOM 180 CD1 LEU A 12 0.922 -6.855 -3.331 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.560 -6.106 -1.468 1.00 1.04 C ATOM 0 H LEU A 12 1.534 -7.860 0.753 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.208 -8.203 -0.104 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.380 -8.936 -1.473 1.00 0.40 H new ATOM 0 HB3 LEU A 12 -0.214 -8.893 -2.199 1.00 0.40 H new ATOM 0 HG LEU A 12 1.504 -6.587 -1.296 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.076 -5.810 -3.598 1.00 1.04 H new ATOM 0 HD12 LEU A 12 1.818 -7.427 -3.573 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.076 -7.252 -3.892 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.376 -5.072 -1.762 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.447 -6.477 -1.982 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.718 -6.155 -0.391 1.00 1.04 H new ATOM 193 N GLN A 13 -1.339 -10.794 -0.247 1.00 0.65 N ATOM 194 CA GLN A 13 -1.543 -12.203 0.072 1.00 0.62 C ATOM 195 C GLN A 13 -0.437 -13.073 -0.529 1.00 0.62 C ATOM 196 O GLN A 13 -0.343 -14.269 -0.250 1.00 0.74 O ATOM 197 CB GLN A 13 -2.910 -12.664 -0.421 1.00 0.69 C ATOM 198 CG GLN A 13 -3.325 -14.004 0.155 1.00 0.89 C ATOM 199 CD GLN A 13 -4.707 -14.431 -0.280 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.410 -15.126 0.446 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.106 -14.020 -1.470 1.00 1.61 N ATOM 0 H GLN A 13 -2.051 -10.387 -0.854 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.504 -12.313 1.156 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.657 -11.915 -0.159 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.894 -12.731 -1.509 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.604 -14.763 -0.149 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.293 -13.951 1.243 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -4.490 -13.443 -2.043 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.030 -14.280 -1.816 1.00 1.61 H new ATOM 210 N ASP A 14 0.406 -12.457 -1.338 1.00 0.55 N ATOM 211 CA ASP A 14 1.516 -13.153 -1.966 1.00 0.64 C ATOM 212 C ASP A 14 2.800 -12.903 -1.180 1.00 0.54 C ATOM 213 O ASP A 14 3.800 -13.589 -1.364 1.00 0.70 O ATOM 214 CB ASP A 14 1.672 -12.696 -3.421 1.00 0.80 C ATOM 215 CG ASP A 14 2.847 -13.349 -4.131 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.864 -14.593 -4.258 1.00 1.98 O ATOM 217 OD2 ASP A 14 3.757 -12.618 -4.573 1.00 2.11 O ATOM 0 H ASP A 14 0.342 -11.468 -1.577 1.00 0.55 H new ATOM 0 HA ASP A 14 1.312 -14.224 -1.964 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.755 -12.922 -3.966 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.798 -11.614 -3.444 1.00 0.80 H new ATOM 222 N GLY A 15 2.760 -11.923 -0.284 1.00 0.55 N ATOM 223 CA GLY A 15 3.914 -11.629 0.541 1.00 0.73 C ATOM 224 C GLY A 15 4.495 -10.252 0.295 1.00 0.75 C ATOM 225 O GLY A 15 5.319 -9.775 1.077 1.00 1.28 O ATOM 0 H GLY A 15 1.949 -11.328 -0.115 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.632 -11.714 1.590 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.684 -12.378 0.356 1.00 0.73 H new ATOM 229 N SER A 16 4.082 -9.615 -0.790 1.00 0.37 N ATOM 230 CA SER A 16 4.638 -8.320 -1.162 1.00 0.35 C ATOM 231 C SER A 16 4.126 -7.228 -0.228 1.00 0.29 C ATOM 232 O SER A 16 3.011 -7.308 0.275 1.00 0.33 O ATOM 233 CB SER A 16 4.291 -8.003 -2.609 1.00 0.44 C ATOM 234 OG SER A 16 4.513 -9.136 -3.433 1.00 1.07 O ATOM 0 H SER A 16 3.368 -9.970 -1.426 1.00 0.37 H new ATOM 0 HA SER A 16 5.723 -8.361 -1.066 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.248 -7.693 -2.680 1.00 0.44 H new ATOM 0 HB3 SER A 16 4.896 -7.167 -2.959 1.00 0.44 H new ATOM 0 HG SER A 16 4.284 -8.916 -4.360 1.00 1.07 H new ATOM 240 N LYS A 17 4.947 -6.224 0.007 1.00 0.26 N ATOM 241 CA LYS A 17 4.648 -5.211 1.005 1.00 0.28 C ATOM 242 C LYS A 17 4.536 -3.819 0.404 1.00 0.30 C ATOM 243 O LYS A 17 5.421 -3.360 -0.309 1.00 0.43 O ATOM 244 CB LYS A 17 5.739 -5.240 2.072 1.00 0.31 C ATOM 245 CG LYS A 17 5.708 -6.511 2.891 1.00 0.71 C ATOM 246 CD LYS A 17 6.931 -6.653 3.767 1.00 0.66 C ATOM 247 CE LYS A 17 6.777 -7.827 4.716 1.00 0.84 C ATOM 248 NZ LYS A 17 6.234 -9.032 4.032 1.00 1.84 N ATOM 0 H LYS A 17 5.832 -6.086 -0.481 1.00 0.26 H new ATOM 0 HA LYS A 17 3.677 -5.440 1.444 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.714 -5.142 1.594 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.620 -4.382 2.733 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.814 -6.519 3.514 1.00 0.71 H new ATOM 0 HG3 LYS A 17 5.639 -7.370 2.224 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.815 -6.795 3.146 1.00 0.66 H new ATOM 0 HD3 LYS A 17 7.085 -5.736 4.336 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.745 -8.066 5.156 1.00 0.84 H new ATOM 0 HE3 LYS A 17 6.115 -7.546 5.535 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 6.498 -9.884 4.567 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 5.198 -8.964 3.980 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 6.626 -9.092 3.071 1.00 1.84 H new ATOM 262 N VAL A 18 3.431 -3.163 0.699 1.00 0.28 N ATOM 263 CA VAL A 18 3.218 -1.780 0.314 1.00 0.30 C ATOM 264 C VAL A 18 3.270 -0.927 1.567 1.00 0.31 C ATOM 265 O VAL A 18 2.844 -1.369 2.618 1.00 0.41 O ATOM 266 CB VAL A 18 1.843 -1.604 -0.370 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.542 -0.135 -0.656 1.00 0.39 C ATOM 268 CG2 VAL A 18 1.779 -2.423 -1.653 1.00 0.36 C ATOM 0 H VAL A 18 2.653 -3.575 1.214 1.00 0.28 H new ATOM 0 HA VAL A 18 3.990 -1.478 -0.393 1.00 0.30 H new ATOM 0 HB VAL A 18 1.080 -1.968 0.318 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.568 -0.050 -1.137 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.535 0.424 0.280 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.309 0.272 -1.315 1.00 0.39 H new ATOM 0 HG21 VAL A 18 0.805 -2.288 -2.122 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.560 -2.090 -2.336 1.00 0.36 H new ATOM 0 HG23 VAL A 18 1.926 -3.477 -1.419 1.00 0.36 H new ATOM 278 N HIS A 19 3.821 0.266 1.492 1.00 0.29 N ATOM 279 CA HIS A 19 3.813 1.140 2.657 1.00 0.29 C ATOM 280 C HIS A 19 3.359 2.523 2.278 1.00 0.30 C ATOM 281 O HIS A 19 3.758 3.053 1.245 1.00 0.34 O ATOM 282 CB HIS A 19 5.187 1.261 3.326 1.00 0.32 C ATOM 283 CG HIS A 19 6.034 0.041 3.263 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.080 -0.920 4.240 1.00 0.67 N ATOM 285 CD2 HIS A 19 6.883 -0.353 2.311 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.933 -1.861 3.886 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.437 -1.540 2.713 1.00 0.41 N ATOM 0 H HIS A 19 4.271 0.651 0.661 1.00 0.29 H new ATOM 0 HA HIS A 19 3.123 0.682 3.365 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.729 2.084 2.860 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.041 1.528 4.373 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.095 0.170 1.390 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.176 -2.743 4.460 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.124 -2.084 2.191 1.00 0.41 H new ATOM 296 N VAL A 20 2.533 3.094 3.121 1.00 0.31 N ATOM 297 CA VAL A 20 2.182 4.486 3.006 1.00 0.33 C ATOM 298 C VAL A 20 3.063 5.249 3.971 1.00 0.32 C ATOM 299 O VAL A 20 3.015 5.032 5.185 1.00 0.33 O ATOM 300 CB VAL A 20 0.693 4.739 3.314 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.342 6.206 3.102 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.187 3.844 2.452 1.00 0.81 C ATOM 0 H VAL A 20 2.088 2.609 3.901 1.00 0.31 H new ATOM 0 HA VAL A 20 2.339 4.819 1.980 1.00 0.33 H new ATOM 0 HB VAL A 20 0.511 4.495 4.361 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.713 6.363 3.325 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.949 6.825 3.763 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.539 6.481 2.066 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.235 4.035 2.681 1.00 0.81 H new ATOM 0 HG22 VAL A 20 -0.001 4.057 1.399 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.045 2.799 2.657 1.00 0.81 H new ATOM 312 N PHE A 21 3.911 6.089 3.431 1.00 0.34 N ATOM 313 CA PHE A 21 4.900 6.776 4.220 1.00 0.37 C ATOM 314 C PHE A 21 4.298 7.981 4.928 1.00 0.39 C ATOM 315 O PHE A 21 3.310 8.557 4.477 1.00 0.40 O ATOM 316 CB PHE A 21 6.069 7.186 3.335 1.00 0.40 C ATOM 317 CG PHE A 21 7.008 6.055 3.012 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.691 5.176 1.994 1.00 0.37 C ATOM 319 CD2 PHE A 21 8.195 5.853 3.720 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.520 4.114 1.686 1.00 0.39 C ATOM 321 CE2 PHE A 21 9.027 4.794 3.409 1.00 0.64 C ATOM 322 CZ PHE A 21 8.800 4.007 2.435 1.00 0.51 C ATOM 0 H PHE A 21 3.934 6.314 2.436 1.00 0.34 H new ATOM 0 HA PHE A 21 5.265 6.098 4.991 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.681 7.602 2.405 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.627 7.980 3.830 1.00 0.40 H new ATOM 0 HD1 PHE A 21 5.781 5.321 1.430 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.465 6.530 4.517 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.249 3.391 0.931 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.904 4.628 4.017 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.533 3.265 2.154 1.00 0.51 H new ATOM 332 N LYS A 22 4.912 8.338 6.044 1.00 0.44 N ATOM 333 CA LYS A 22 4.438 9.413 6.904 1.00 0.50 C ATOM 334 C LYS A 22 4.333 10.740 6.148 1.00 0.52 C ATOM 335 O LYS A 22 3.526 11.602 6.500 1.00 0.57 O ATOM 336 CB LYS A 22 5.393 9.574 8.090 1.00 0.61 C ATOM 337 CG LYS A 22 6.739 10.152 7.697 1.00 1.37 C ATOM 338 CD LYS A 22 7.534 10.601 8.911 1.00 1.46 C ATOM 339 CE LYS A 22 8.467 11.754 8.573 1.00 2.02 C ATOM 340 NZ LYS A 22 9.521 11.369 7.597 1.00 2.87 N ATOM 0 H LYS A 22 5.761 7.886 6.383 1.00 0.44 H new ATOM 0 HA LYS A 22 3.441 9.148 7.255 1.00 0.50 H new ATOM 0 HB2 LYS A 22 4.931 10.221 8.836 1.00 0.61 H new ATOM 0 HB3 LYS A 22 5.545 8.603 8.561 1.00 0.61 H new ATOM 0 HG2 LYS A 22 7.309 9.404 7.145 1.00 1.37 H new ATOM 0 HG3 LYS A 22 6.590 10.998 7.026 1.00 1.37 H new ATOM 0 HD2 LYS A 22 6.850 10.906 9.703 1.00 1.46 H new ATOM 0 HD3 LYS A 22 8.115 9.763 9.297 1.00 1.46 H new ATOM 0 HE2 LYS A 22 7.885 12.581 8.166 1.00 2.02 H new ATOM 0 HE3 LYS A 22 8.938 12.116 9.487 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 10.129 12.190 7.401 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 10.096 10.599 7.993 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 9.076 11.049 6.713 1.00 2.87 H new ATOM 354 N ASP A 23 5.144 10.892 5.110 1.00 0.54 N ATOM 355 CA ASP A 23 5.227 12.141 4.381 1.00 0.61 C ATOM 356 C ASP A 23 4.301 12.086 3.199 1.00 0.59 C ATOM 357 O ASP A 23 4.163 13.054 2.453 1.00 0.67 O ATOM 358 CB ASP A 23 6.658 12.405 3.912 1.00 0.68 C ATOM 359 CG ASP A 23 7.118 11.415 2.863 1.00 1.29 C ATOM 360 OD1 ASP A 23 7.635 10.345 3.239 1.00 1.97 O ATOM 361 OD2 ASP A 23 6.953 11.699 1.660 1.00 1.91 O ATOM 0 H ASP A 23 5.756 10.157 4.755 1.00 0.54 H new ATOM 0 HA ASP A 23 4.933 12.955 5.043 1.00 0.61 H new ATOM 0 HB2 ASP A 23 6.723 13.415 3.507 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.331 12.361 4.768 1.00 0.68 H new ATOM 366 N GLY A 24 3.644 10.953 3.049 1.00 0.53 N ATOM 367 CA GLY A 24 2.713 10.808 1.982 1.00 0.53 C ATOM 368 C GLY A 24 3.176 9.915 0.849 1.00 0.53 C ATOM 369 O GLY A 24 2.369 9.575 -0.011 1.00 0.58 O ATOM 0 H GLY A 24 3.745 10.136 3.652 1.00 0.53 H new ATOM 0 HA2 GLY A 24 1.782 10.408 2.383 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.488 11.795 1.579 1.00 0.53 H new ATOM 373 N LYS A 25 4.454 9.533 0.809 1.00 0.50 N ATOM 374 CA LYS A 25 4.940 8.657 -0.252 1.00 0.51 C ATOM 375 C LYS A 25 4.492 7.221 -0.045 1.00 0.42 C ATOM 376 O LYS A 25 3.855 6.890 0.950 1.00 0.41 O ATOM 377 CB LYS A 25 6.459 8.706 -0.328 1.00 0.62 C ATOM 378 CG LYS A 25 6.973 9.846 -1.178 1.00 0.94 C ATOM 379 CD LYS A 25 8.485 9.830 -1.253 1.00 1.49 C ATOM 380 CE LYS A 25 9.113 10.210 0.077 1.00 1.50 C ATOM 381 NZ LYS A 25 10.590 10.057 0.074 1.00 1.74 N ATOM 0 H LYS A 25 5.160 9.813 1.490 1.00 0.50 H new ATOM 0 HA LYS A 25 4.514 9.017 -1.188 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.865 8.800 0.679 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.827 7.764 -0.733 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.555 9.773 -2.182 1.00 0.94 H new ATOM 0 HG3 LYS A 25 6.636 10.795 -0.761 1.00 0.94 H new ATOM 0 HD2 LYS A 25 8.825 8.837 -1.547 1.00 1.49 H new ATOM 0 HD3 LYS A 25 8.819 10.523 -2.025 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.859 11.243 0.313 1.00 1.50 H new ATOM 0 HE3 LYS A 25 8.688 9.589 0.866 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.969 10.329 1.004 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 10.836 9.066 -0.124 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 11.001 10.669 -0.660 1.00 1.74 H new ATOM 395 N MET A 26 4.824 6.368 -0.999 1.00 0.42 N ATOM 396 CA MET A 26 4.527 4.950 -0.897 1.00 0.41 C ATOM 397 C MET A 26 5.689 4.137 -1.440 1.00 0.42 C ATOM 398 O MET A 26 6.409 4.582 -2.336 1.00 0.49 O ATOM 399 CB MET A 26 3.257 4.571 -1.673 1.00 0.47 C ATOM 400 CG MET A 26 2.022 5.394 -1.331 1.00 0.73 C ATOM 401 SD MET A 26 1.930 6.934 -2.268 1.00 1.07 S ATOM 402 CE MET A 26 2.016 6.310 -3.944 1.00 0.76 C ATOM 0 H MET A 26 5.303 6.636 -1.859 1.00 0.42 H new ATOM 0 HA MET A 26 4.366 4.730 0.158 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.458 4.672 -2.740 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.037 3.520 -1.488 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.129 4.800 -1.527 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.026 5.622 -0.265 1.00 0.73 H new ATOM 0 HE1 MET A 26 1.846 7.127 -4.646 1.00 0.76 H new ATOM 0 HE2 MET A 26 3.001 5.878 -4.121 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.253 5.545 -4.087 1.00 0.76 H new ATOM 412 N GLY A 27 5.886 2.957 -0.883 1.00 0.39 N ATOM 413 CA GLY A 27 6.919 2.075 -1.374 1.00 0.39 C ATOM 414 C GLY A 27 6.436 0.645 -1.468 1.00 0.32 C ATOM 415 O GLY A 27 5.631 0.212 -0.644 1.00 0.33 O ATOM 0 H GLY A 27 5.348 2.592 -0.097 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.249 2.413 -2.356 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.784 2.124 -0.713 1.00 0.39 H new ATOM 419 N MET A 28 6.911 -0.085 -2.470 1.00 0.28 N ATOM 420 CA MET A 28 6.515 -1.474 -2.654 1.00 0.27 C ATOM 421 C MET A 28 7.724 -2.401 -2.570 1.00 0.26 C ATOM 422 O MET A 28 8.792 -2.107 -3.110 1.00 0.31 O ATOM 423 CB MET A 28 5.809 -1.661 -4.000 1.00 0.34 C ATOM 424 CG MET A 28 5.262 -3.069 -4.207 1.00 0.45 C ATOM 425 SD MET A 28 4.499 -3.293 -5.826 1.00 0.87 S ATOM 426 CE MET A 28 3.997 -5.007 -5.723 1.00 0.72 C ATOM 0 H MET A 28 7.570 0.262 -3.167 1.00 0.28 H new ATOM 0 HA MET A 28 5.822 -1.732 -1.853 1.00 0.27 H new ATOM 0 HB2 MET A 28 4.989 -0.946 -4.074 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.508 -1.429 -4.804 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.072 -3.789 -4.090 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.528 -3.286 -3.431 1.00 0.45 H new ATOM 0 HE1 MET A 28 3.507 -5.299 -6.652 1.00 0.72 H new ATOM 0 HE2 MET A 28 4.874 -5.634 -5.563 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.303 -5.134 -4.892 1.00 0.72 H new ATOM 436 N GLU A 29 7.535 -3.514 -1.887 1.00 0.24 N ATOM 437 CA GLU A 29 8.547 -4.544 -1.762 1.00 0.26 C ATOM 438 C GLU A 29 7.929 -5.886 -2.092 1.00 0.27 C ATOM 439 O GLU A 29 6.721 -6.058 -1.959 1.00 0.29 O ATOM 440 CB GLU A 29 9.133 -4.572 -0.347 1.00 0.34 C ATOM 441 CG GLU A 29 10.176 -3.500 -0.112 1.00 0.47 C ATOM 442 CD GLU A 29 10.474 -3.276 1.354 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.581 -2.790 2.073 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.603 -3.573 1.791 1.00 1.14 O ATOM 0 H GLU A 29 6.666 -3.730 -1.399 1.00 0.24 H new ATOM 0 HA GLU A 29 9.358 -4.326 -2.456 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.326 -4.450 0.376 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.579 -5.550 -0.165 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.096 -3.778 -0.626 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.834 -2.565 -0.554 1.00 0.47 H new ATOM 451 N ASN A 30 8.734 -6.825 -2.536 1.00 0.32 N ATOM 452 CA ASN A 30 8.220 -8.148 -2.834 1.00 0.39 C ATOM 453 C ASN A 30 8.266 -9.018 -1.588 1.00 0.42 C ATOM 454 O ASN A 30 8.838 -8.629 -0.572 1.00 0.42 O ATOM 455 CB ASN A 30 8.992 -8.814 -3.983 1.00 0.47 C ATOM 456 CG ASN A 30 10.473 -9.015 -3.695 1.00 0.79 C ATOM 457 OD1 ASN A 30 10.897 -9.108 -2.549 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.270 -9.101 -4.739 1.00 1.12 N ATOM 0 H ASN A 30 9.734 -6.703 -2.698 1.00 0.32 H new ATOM 0 HA ASN A 30 7.185 -8.039 -3.157 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.539 -9.782 -4.199 1.00 0.47 H new ATOM 0 HB3 ASN A 30 8.886 -8.205 -4.881 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.270 -9.249 -4.606 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.887 -9.020 -5.681 1.00 1.12 H new ATOM 465 N LYS A 31 7.623 -10.173 -1.661 1.00 0.48 N ATOM 466 CA LYS A 31 7.654 -11.167 -0.586 1.00 0.54 C ATOM 467 C LYS A 31 9.066 -11.569 -0.146 1.00 0.58 C ATOM 468 O LYS A 31 9.227 -12.248 0.868 1.00 0.69 O ATOM 469 CB LYS A 31 6.880 -12.406 -1.019 1.00 0.62 C ATOM 470 CG LYS A 31 7.253 -12.915 -2.400 1.00 0.66 C ATOM 471 CD LYS A 31 6.361 -14.071 -2.806 1.00 0.78 C ATOM 472 CE LYS A 31 6.470 -14.373 -4.288 1.00 1.32 C ATOM 473 NZ LYS A 31 5.539 -15.455 -4.696 1.00 1.77 N ATOM 0 H LYS A 31 7.063 -10.453 -2.466 1.00 0.48 H new ATOM 0 HA LYS A 31 7.189 -10.697 0.281 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.050 -13.200 -0.292 1.00 0.62 H new ATOM 0 HB3 LYS A 31 5.814 -12.180 -1.002 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.163 -12.108 -3.127 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.295 -13.234 -2.406 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.632 -14.958 -2.233 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.326 -13.836 -2.558 1.00 0.78 H new ATOM 0 HE2 LYS A 31 6.253 -13.471 -4.860 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.493 -14.664 -4.526 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.604 -15.600 -5.724 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.794 -16.336 -4.205 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 4.566 -15.188 -4.445 1.00 1.77 H new ATOM 487 N PHE A 32 10.080 -11.167 -0.896 1.00 0.58 N ATOM 488 CA PHE A 32 11.457 -11.478 -0.535 1.00 0.63 C ATOM 489 C PHE A 32 12.114 -10.284 0.161 1.00 0.56 C ATOM 490 O PHE A 32 13.272 -10.354 0.572 1.00 0.62 O ATOM 491 CB PHE A 32 12.261 -11.881 -1.774 1.00 0.69 C ATOM 492 CG PHE A 32 11.654 -13.026 -2.533 1.00 0.80 C ATOM 493 CD1 PHE A 32 11.711 -14.315 -2.031 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.031 -12.813 -3.753 1.00 0.83 C ATOM 495 CE1 PHE A 32 11.157 -15.372 -2.729 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.476 -13.864 -4.455 1.00 0.96 C ATOM 497 CZ PHE A 32 10.520 -15.144 -3.931 1.00 1.07 C ATOM 0 H PHE A 32 9.978 -10.627 -1.755 1.00 0.58 H new ATOM 0 HA PHE A 32 11.446 -12.319 0.158 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.348 -11.020 -2.437 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.272 -12.152 -1.470 1.00 0.69 H new ATOM 0 HD1 PHE A 32 12.194 -14.497 -1.082 1.00 0.95 H new ATOM 0 HD2 PHE A 32 10.979 -11.813 -4.159 1.00 0.83 H new ATOM 0 HE1 PHE A 32 11.223 -16.375 -2.334 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.008 -13.688 -5.412 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.057 -15.962 -4.462 1.00 1.07 H new ATOM 507 N GLY A 33 11.372 -9.188 0.293 1.00 0.49 N ATOM 508 CA GLY A 33 11.872 -8.034 1.014 1.00 0.49 C ATOM 509 C GLY A 33 12.654 -7.111 0.122 1.00 0.45 C ATOM 510 O GLY A 33 13.468 -6.315 0.591 1.00 0.54 O ATOM 0 H GLY A 33 10.432 -9.080 -0.088 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.036 -7.491 1.454 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.505 -8.366 1.837 1.00 0.49 H new ATOM 514 N LYS A 34 12.423 -7.230 -1.170 1.00 0.42 N ATOM 515 CA LYS A 34 13.141 -6.428 -2.138 1.00 0.52 C ATOM 516 C LYS A 34 12.298 -5.291 -2.638 1.00 0.38 C ATOM 517 O LYS A 34 11.125 -5.454 -2.967 1.00 0.72 O ATOM 518 CB LYS A 34 13.608 -7.277 -3.305 1.00 0.85 C ATOM 519 CG LYS A 34 14.613 -8.322 -2.888 1.00 1.17 C ATOM 520 CD LYS A 34 15.970 -7.704 -2.608 1.00 1.92 C ATOM 521 CE LYS A 34 16.562 -7.048 -3.847 1.00 2.73 C ATOM 522 NZ LYS A 34 17.768 -6.253 -3.514 1.00 3.25 N ATOM 0 H LYS A 34 11.743 -7.875 -1.573 1.00 0.42 H new ATOM 0 HA LYS A 34 14.014 -6.013 -1.633 1.00 0.52 H new ATOM 0 HB2 LYS A 34 12.748 -7.766 -3.763 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.051 -6.633 -4.065 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.255 -8.838 -1.997 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.708 -9.072 -3.674 1.00 1.17 H new ATOM 0 HD2 LYS A 34 15.874 -6.962 -1.815 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.651 -8.473 -2.244 1.00 1.92 H new ATOM 0 HE2 LYS A 34 16.820 -7.814 -4.578 1.00 2.73 H new ATOM 0 HE3 LYS A 34 15.816 -6.403 -4.311 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 18.148 -5.819 -4.380 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 17.515 -5.507 -2.835 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 18.488 -6.874 -3.094 1.00 3.25 H new ATOM 536 N SER A 35 12.928 -4.150 -2.701 1.00 0.46 N ATOM 537 CA SER A 35 12.271 -2.929 -3.104 1.00 0.48 C ATOM 538 C SER A 35 12.030 -2.909 -4.610 1.00 0.58 C ATOM 539 O SER A 35 12.951 -3.126 -5.404 1.00 0.74 O ATOM 540 CB SER A 35 13.108 -1.736 -2.662 1.00 0.69 C ATOM 541 OG SER A 35 14.479 -1.927 -2.980 1.00 1.55 O ATOM 0 H SER A 35 13.916 -4.037 -2.474 1.00 0.46 H new ATOM 0 HA SER A 35 11.295 -2.872 -2.622 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.742 -0.831 -3.147 1.00 0.69 H new ATOM 0 HB3 SER A 35 12.998 -1.589 -1.588 1.00 0.69 H new ATOM 0 HG SER A 35 14.554 -2.415 -3.827 1.00 1.55 H new ATOM 547 N MET A 36 10.793 -2.658 -4.997 1.00 0.58 N ATOM 548 CA MET A 36 10.415 -2.678 -6.400 1.00 0.76 C ATOM 549 C MET A 36 9.485 -1.518 -6.724 1.00 0.87 C ATOM 550 O MET A 36 9.104 -0.746 -5.843 1.00 0.94 O ATOM 551 CB MET A 36 9.748 -4.012 -6.755 1.00 0.81 C ATOM 552 CG MET A 36 8.582 -4.375 -5.847 1.00 1.07 C ATOM 553 SD MET A 36 7.802 -5.937 -6.305 1.00 1.38 S ATOM 554 CE MET A 36 7.073 -5.496 -7.881 1.00 1.15 C ATOM 0 H MET A 36 10.030 -2.437 -4.358 1.00 0.58 H new ATOM 0 HA MET A 36 11.319 -2.570 -6.999 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.395 -3.968 -7.785 1.00 0.81 H new ATOM 0 HB3 MET A 36 10.494 -4.805 -6.707 1.00 0.81 H new ATOM 0 HG2 MET A 36 8.935 -4.438 -4.817 1.00 1.07 H new ATOM 0 HG3 MET A 36 7.839 -3.579 -5.881 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.304 -6.223 -8.142 1.00 1.15 H new ATOM 0 HE2 MET A 36 6.626 -4.505 -7.810 1.00 1.15 H new ATOM 0 HE3 MET A 36 7.845 -5.492 -8.650 1.00 1.15 H new ATOM 564 N ASN A 37 9.131 -1.392 -7.993 1.00 1.03 N ATOM 565 CA ASN A 37 8.236 -0.333 -8.440 1.00 1.17 C ATOM 566 C ASN A 37 6.816 -0.860 -8.524 1.00 0.99 C ATOM 567 O ASN A 37 6.573 -1.927 -9.091 1.00 1.03 O ATOM 568 CB ASN A 37 8.659 0.226 -9.806 1.00 1.55 C ATOM 569 CG ASN A 37 9.951 1.034 -9.769 1.00 2.18 C ATOM 570 OD1 ASN A 37 10.128 1.970 -10.546 1.00 2.78 O ATOM 571 ND2 ASN A 37 10.866 0.679 -8.878 1.00 2.51 N ATOM 0 H ASN A 37 9.451 -2.013 -8.736 1.00 1.03 H new ATOM 0 HA ASN A 37 8.289 0.477 -7.712 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.779 -0.602 -10.505 1.00 1.55 H new ATOM 0 HB3 ASN A 37 7.859 0.856 -10.193 1.00 1.55 H new ATOM 0 HD21 ASN A 37 11.748 1.188 -8.823 1.00 2.51 H new ATOM 0 HD22 ASN A 37 10.688 -0.103 -8.248 1.00 2.51 H new ATOM 578 N MET A 38 5.890 -0.119 -7.947 1.00 1.01 N ATOM 579 CA MET A 38 4.490 -0.511 -7.935 1.00 0.99 C ATOM 580 C MET A 38 3.800 -0.058 -9.214 1.00 0.86 C ATOM 581 O MET A 38 3.725 1.137 -9.498 1.00 0.81 O ATOM 582 CB MET A 38 3.798 0.071 -6.699 1.00 1.23 C ATOM 583 CG MET A 38 2.317 -0.261 -6.596 1.00 0.95 C ATOM 584 SD MET A 38 1.652 0.037 -4.942 1.00 1.15 S ATOM 585 CE MET A 38 2.281 1.680 -4.606 1.00 1.32 C ATOM 0 H MET A 38 6.082 0.765 -7.476 1.00 1.01 H new ATOM 0 HA MET A 38 4.424 -1.598 -7.888 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.304 -0.297 -5.807 1.00 1.23 H new ATOM 0 HB3 MET A 38 3.916 1.155 -6.708 1.00 1.23 H new ATOM 0 HG2 MET A 38 1.763 0.337 -7.320 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.163 -1.307 -6.863 1.00 0.95 H new ATOM 0 HE1 MET A 38 1.599 2.200 -3.934 1.00 1.32 H new ATOM 0 HE2 MET A 38 3.263 1.605 -4.140 1.00 1.32 H new ATOM 0 HE3 MET A 38 2.364 2.236 -5.540 1.00 1.32 H new ATOM 595 N PRO A 39 3.302 -1.019 -10.007 1.00 0.92 N ATOM 596 CA PRO A 39 2.679 -0.737 -11.302 1.00 0.91 C ATOM 597 C PRO A 39 1.339 -0.021 -11.170 1.00 0.76 C ATOM 598 O PRO A 39 0.587 -0.245 -10.218 1.00 0.83 O ATOM 599 CB PRO A 39 2.482 -2.126 -11.914 1.00 1.16 C ATOM 600 CG PRO A 39 2.400 -3.046 -10.746 1.00 1.24 C ATOM 601 CD PRO A 39 3.303 -2.460 -9.697 1.00 1.13 C ATOM 0 HA PRO A 39 3.294 -0.070 -11.906 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.574 -2.168 -12.516 1.00 1.16 H new ATOM 0 HB3 PRO A 39 3.312 -2.391 -12.569 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.376 -3.124 -10.381 1.00 1.24 H new ATOM 0 HG3 PRO A 39 2.719 -4.052 -11.018 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.929 -2.654 -8.692 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.307 -2.881 -9.751 1.00 1.13 H new ATOM 609 N GLU A 40 1.037 0.828 -12.139 1.00 0.77 N ATOM 610 CA GLU A 40 -0.205 1.573 -12.131 1.00 0.69 C ATOM 611 C GLU A 40 -1.304 0.780 -12.827 1.00 0.73 C ATOM 612 O GLU A 40 -1.044 0.041 -13.776 1.00 1.09 O ATOM 613 CB GLU A 40 -0.024 2.930 -12.815 1.00 0.76 C ATOM 614 CG GLU A 40 -1.245 3.821 -12.683 1.00 0.72 C ATOM 615 CD GLU A 40 -1.068 5.190 -13.293 1.00 0.94 C ATOM 616 OE1 GLU A 40 -0.397 6.036 -12.667 1.00 1.09 O ATOM 617 OE2 GLU A 40 -1.561 5.420 -14.414 1.00 1.15 O ATOM 0 H GLU A 40 1.638 1.016 -12.941 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.495 1.742 -11.094 1.00 0.69 H new ATOM 0 HB2 GLU A 40 0.839 3.437 -12.384 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.194 2.773 -13.872 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -2.095 3.330 -13.156 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -1.489 3.933 -11.627 1.00 0.72 H new ATOM 624 N GLY A 41 -2.524 0.907 -12.327 1.00 0.64 N ATOM 625 CA GLY A 41 -3.661 0.266 -12.959 1.00 0.66 C ATOM 626 C GLY A 41 -4.000 -1.069 -12.329 1.00 0.62 C ATOM 627 O GLY A 41 -5.101 -1.592 -12.517 1.00 0.68 O ATOM 0 H GLY A 41 -2.749 1.445 -11.490 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.527 0.925 -12.895 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.449 0.121 -14.018 1.00 0.66 H new ATOM 631 N LYS A 42 -3.063 -1.618 -11.570 1.00 0.59 N ATOM 632 CA LYS A 42 -3.257 -2.912 -10.933 1.00 0.59 C ATOM 633 C LYS A 42 -3.762 -2.778 -9.514 1.00 0.52 C ATOM 634 O LYS A 42 -3.089 -2.208 -8.656 1.00 0.54 O ATOM 635 CB LYS A 42 -1.953 -3.697 -10.920 1.00 0.67 C ATOM 636 CG LYS A 42 -1.600 -4.293 -12.269 1.00 0.85 C ATOM 637 CD LYS A 42 -2.660 -5.283 -12.721 1.00 1.45 C ATOM 638 CE LYS A 42 -2.349 -5.855 -14.091 1.00 1.85 C ATOM 639 NZ LYS A 42 -2.396 -4.822 -15.157 1.00 2.30 N ATOM 0 H LYS A 42 -2.159 -1.186 -11.380 1.00 0.59 H new ATOM 0 HA LYS A 42 -4.009 -3.442 -11.517 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.145 -3.041 -10.597 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.026 -4.498 -10.184 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.502 -3.497 -13.008 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.633 -4.793 -12.208 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -2.732 -6.094 -11.996 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -3.632 -4.789 -12.745 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -1.360 -6.313 -14.075 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -3.063 -6.646 -14.323 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -2.346 -5.282 -16.088 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -3.284 -4.286 -15.083 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -1.591 -4.173 -15.048 1.00 2.30 H new ATOM 653 N VAL A 43 -4.932 -3.337 -9.262 1.00 0.48 N ATOM 654 CA VAL A 43 -5.459 -3.369 -7.915 1.00 0.45 C ATOM 655 C VAL A 43 -5.070 -4.695 -7.257 1.00 0.39 C ATOM 656 O VAL A 43 -5.419 -5.778 -7.734 1.00 0.46 O ATOM 657 CB VAL A 43 -6.990 -3.118 -7.860 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.774 -4.172 -8.620 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.462 -3.032 -6.418 1.00 0.93 C ATOM 0 H VAL A 43 -5.528 -3.770 -9.967 1.00 0.48 H new ATOM 0 HA VAL A 43 -5.016 -2.546 -7.354 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.180 -2.164 -8.352 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.839 -3.953 -8.552 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.469 -4.168 -9.666 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.577 -5.153 -8.188 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.537 -2.856 -6.397 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.238 -3.967 -5.905 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.950 -2.211 -5.916 1.00 0.93 H new ATOM 669 N MET A 44 -4.329 -4.596 -6.167 1.00 0.35 N ATOM 670 CA MET A 44 -3.715 -5.760 -5.544 1.00 0.36 C ATOM 671 C MET A 44 -4.420 -6.105 -4.245 1.00 0.34 C ATOM 672 O MET A 44 -4.983 -5.231 -3.588 1.00 0.39 O ATOM 673 CB MET A 44 -2.229 -5.501 -5.287 1.00 0.46 C ATOM 674 CG MET A 44 -1.435 -5.258 -6.558 1.00 0.76 C ATOM 675 SD MET A 44 0.302 -4.888 -6.242 1.00 1.31 S ATOM 676 CE MET A 44 0.161 -3.378 -5.287 1.00 1.20 C ATOM 0 H MET A 44 -4.136 -3.715 -5.691 1.00 0.35 H new ATOM 0 HA MET A 44 -3.812 -6.606 -6.224 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.126 -4.637 -4.631 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.804 -6.355 -4.759 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.503 -6.139 -7.197 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.883 -4.430 -7.108 1.00 0.76 H new ATOM 0 HE1 MET A 44 1.113 -2.848 -5.302 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.614 -2.745 -5.719 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.102 -3.622 -4.258 1.00 1.20 H new ATOM 686 N GLU A 45 -4.383 -7.379 -3.878 1.00 0.31 N ATOM 687 CA GLU A 45 -5.084 -7.856 -2.705 1.00 0.34 C ATOM 688 C GLU A 45 -4.122 -8.120 -1.546 1.00 0.30 C ATOM 689 O GLU A 45 -2.986 -8.561 -1.738 1.00 0.35 O ATOM 690 CB GLU A 45 -5.864 -9.119 -3.067 1.00 0.47 C ATOM 691 CG GLU A 45 -6.553 -9.777 -1.891 1.00 0.99 C ATOM 692 CD GLU A 45 -7.481 -10.895 -2.310 1.00 1.17 C ATOM 693 OE1 GLU A 45 -6.991 -11.913 -2.836 1.00 1.43 O ATOM 694 OE2 GLU A 45 -8.709 -10.765 -2.113 1.00 1.64 O ATOM 0 H GLU A 45 -3.870 -8.101 -4.383 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.778 -7.085 -2.372 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -6.612 -8.868 -3.819 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.182 -9.837 -3.523 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -5.800 -10.172 -1.208 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.120 -9.026 -1.341 1.00 0.99 H new ATOM 701 N THR A 46 -4.614 -7.856 -0.347 1.00 0.29 N ATOM 702 CA THR A 46 -3.840 -8.028 0.869 1.00 0.31 C ATOM 703 C THR A 46 -4.124 -9.396 1.476 1.00 0.39 C ATOM 704 O THR A 46 -5.065 -10.073 1.057 1.00 0.49 O ATOM 705 CB THR A 46 -4.162 -6.938 1.907 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.537 -7.027 2.303 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.876 -5.552 1.344 1.00 0.50 C ATOM 0 H THR A 46 -5.563 -7.516 -0.190 1.00 0.29 H new ATOM 0 HA THR A 46 -2.786 -7.947 0.602 1.00 0.31 H new ATOM 0 HB THR A 46 -3.525 -7.096 2.777 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.657 -6.586 3.170 1.00 0.53 H new ATOM 0 HG21 THR A 46 -4.111 -4.798 2.096 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.822 -5.479 1.074 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.489 -5.385 0.459 1.00 0.50 H new ATOM 715 N ARG A 47 -3.290 -9.804 2.432 1.00 0.39 N ATOM 716 CA ARG A 47 -3.448 -11.073 3.154 1.00 0.51 C ATOM 717 C ARG A 47 -4.897 -11.474 3.424 1.00 0.72 C ATOM 718 O ARG A 47 -5.289 -12.611 3.155 1.00 0.92 O ATOM 719 CB ARG A 47 -2.740 -10.998 4.504 1.00 0.54 C ATOM 720 CG ARG A 47 -1.226 -11.019 4.441 1.00 0.95 C ATOM 721 CD ARG A 47 -0.642 -11.028 5.846 1.00 1.27 C ATOM 722 NE ARG A 47 0.813 -11.122 5.852 1.00 2.09 N ATOM 723 CZ ARG A 47 1.536 -11.342 6.947 1.00 2.77 C ATOM 724 NH1 ARG A 47 0.941 -11.456 8.128 1.00 2.94 N ATOM 725 NH2 ARG A 47 2.854 -11.439 6.867 1.00 3.73 N ATOM 0 H ARG A 47 -2.479 -9.262 2.732 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.012 -11.825 2.496 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -3.054 -10.085 5.011 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -3.074 -11.834 5.118 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -0.890 -11.900 3.894 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -0.865 -10.147 3.895 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -0.945 -10.119 6.366 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -1.058 -11.868 6.402 1.00 1.27 H new ATOM 0 HE ARG A 47 1.305 -11.013 4.965 1.00 2.09 H new ATOM 0 HH11 ARG A 47 -0.073 -11.375 8.198 1.00 2.94 H new ATOM 0 HH12 ARG A 47 1.498 -11.625 8.966 1.00 2.94 H new ATOM 0 HH21 ARG A 47 3.318 -11.345 5.964 1.00 3.73 H new ATOM 0 HH22 ARG A 47 3.405 -11.608 7.709 1.00 3.73 H new ATOM 739 N ASP A 48 -5.692 -10.553 3.958 1.00 0.78 N ATOM 740 CA ASP A 48 -7.023 -10.910 4.431 1.00 1.06 C ATOM 741 C ASP A 48 -8.075 -10.747 3.346 1.00 1.04 C ATOM 742 O ASP A 48 -9.041 -11.506 3.290 1.00 1.45 O ATOM 743 CB ASP A 48 -7.407 -10.093 5.667 1.00 1.30 C ATOM 744 CG ASP A 48 -8.742 -10.526 6.246 1.00 1.83 C ATOM 745 OD1 ASP A 48 -8.790 -11.581 6.920 1.00 2.70 O ATOM 746 OD2 ASP A 48 -9.749 -9.827 6.020 1.00 1.79 O ATOM 0 H ASP A 48 -5.443 -9.570 4.073 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.988 -11.964 4.706 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -6.632 -10.199 6.426 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -7.453 -9.036 5.403 1.00 1.30 H new ATOM 751 N GLY A 49 -7.894 -9.764 2.484 1.00 0.68 N ATOM 752 CA GLY A 49 -8.811 -9.593 1.381 1.00 0.72 C ATOM 753 C GLY A 49 -9.154 -8.145 1.123 1.00 0.70 C ATOM 754 O GLY A 49 -10.279 -7.823 0.733 1.00 0.77 O ATOM 0 H GLY A 49 -7.134 -9.085 2.526 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.373 -10.024 0.481 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.727 -10.147 1.587 1.00 0.72 H new ATOM 758 N THR A 50 -8.192 -7.266 1.343 1.00 0.65 N ATOM 759 CA THR A 50 -8.362 -5.849 1.066 1.00 0.69 C ATOM 760 C THR A 50 -7.679 -5.530 -0.261 1.00 0.55 C ATOM 761 O THR A 50 -6.753 -6.235 -0.651 1.00 0.52 O ATOM 762 CB THR A 50 -7.733 -5.003 2.197 1.00 0.83 C ATOM 763 OG1 THR A 50 -8.208 -5.463 3.471 1.00 1.25 O ATOM 764 CG2 THR A 50 -8.057 -3.526 2.036 1.00 1.35 C ATOM 0 H THR A 50 -7.275 -7.512 1.717 1.00 0.65 H new ATOM 0 HA THR A 50 -9.424 -5.610 1.009 1.00 0.69 H new ATOM 0 HB THR A 50 -6.651 -5.121 2.140 1.00 0.83 H new ATOM 0 HG1 THR A 50 -7.805 -4.925 4.184 1.00 1.25 H new ATOM 0 HG21 THR A 50 -7.599 -2.962 2.849 1.00 1.35 H new ATOM 0 HG22 THR A 50 -7.667 -3.170 1.082 1.00 1.35 H new ATOM 0 HG23 THR A 50 -9.138 -3.386 2.062 1.00 1.35 H new ATOM 772 N LYS A 51 -8.132 -4.503 -0.964 1.00 0.53 N ATOM 773 CA LYS A 51 -7.541 -4.174 -2.255 1.00 0.52 C ATOM 774 C LYS A 51 -7.045 -2.731 -2.308 1.00 0.51 C ATOM 775 O LYS A 51 -7.690 -1.815 -1.791 1.00 0.56 O ATOM 776 CB LYS A 51 -8.536 -4.446 -3.382 1.00 0.59 C ATOM 777 CG LYS A 51 -8.873 -5.921 -3.529 1.00 0.67 C ATOM 778 CD LYS A 51 -9.645 -6.202 -4.805 1.00 1.19 C ATOM 779 CE LYS A 51 -9.906 -7.690 -4.968 1.00 1.26 C ATOM 780 NZ LYS A 51 -10.538 -8.010 -6.275 1.00 1.84 N ATOM 0 H LYS A 51 -8.894 -3.891 -0.670 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.671 -4.817 -2.390 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.452 -3.886 -3.194 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.124 -4.077 -4.321 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -7.953 -6.505 -3.525 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.461 -6.246 -2.670 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -10.592 -5.663 -4.787 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -9.084 -5.832 -5.663 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -8.966 -8.234 -4.878 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -10.552 -8.034 -4.160 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -10.697 -9.036 -6.342 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -11.448 -7.513 -6.352 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -9.911 -7.706 -7.047 1.00 1.84 H new ATOM 794 N ILE A 52 -5.879 -2.555 -2.931 1.00 0.47 N ATOM 795 CA ILE A 52 -5.231 -1.252 -3.070 1.00 0.46 C ATOM 796 C ILE A 52 -4.582 -1.129 -4.451 1.00 0.46 C ATOM 797 O ILE A 52 -4.421 -2.128 -5.149 1.00 0.52 O ATOM 798 CB ILE A 52 -4.141 -1.038 -1.993 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.094 -2.161 -2.057 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.764 -0.957 -0.603 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.962 -1.993 -1.066 1.00 0.51 C ATOM 0 H ILE A 52 -5.354 -3.319 -3.356 1.00 0.47 H new ATOM 0 HA ILE A 52 -6.004 -0.493 -2.945 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.640 -0.091 -2.194 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.587 -3.116 -1.874 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.680 -2.203 -3.065 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.980 -0.806 0.139 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.464 -0.122 -0.566 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.294 -1.885 -0.387 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.262 -2.822 -1.169 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.444 -1.054 -1.261 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.364 -1.981 -0.053 1.00 0.51 H new ATOM 813 N ILE A 53 -4.203 0.089 -4.835 1.00 0.42 N ATOM 814 CA ILE A 53 -3.565 0.327 -6.145 1.00 0.41 C ATOM 815 C ILE A 53 -2.869 1.687 -6.180 1.00 0.42 C ATOM 816 O ILE A 53 -3.225 2.595 -5.435 1.00 0.44 O ATOM 817 CB ILE A 53 -4.573 0.238 -7.338 1.00 0.40 C ATOM 818 CG1 ILE A 53 -3.929 0.711 -8.653 1.00 0.43 C ATOM 819 CG2 ILE A 53 -5.826 1.045 -7.060 1.00 0.42 C ATOM 820 CD1 ILE A 53 -4.915 0.994 -9.766 1.00 0.98 C ATOM 0 H ILE A 53 -4.322 0.927 -4.267 1.00 0.42 H new ATOM 0 HA ILE A 53 -2.830 -0.469 -6.266 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.850 -0.811 -7.445 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.352 1.615 -8.456 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.225 -0.049 -8.992 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.507 0.963 -7.907 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.314 0.662 -6.164 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -5.559 2.091 -6.909 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.376 1.322 -10.655 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.475 0.087 -9.995 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -5.605 1.777 -9.451 1.00 0.98 H new ATOM 832 N MET A 54 -1.881 1.817 -7.050 1.00 0.44 N ATOM 833 CA MET A 54 -1.210 3.085 -7.266 1.00 0.47 C ATOM 834 C MET A 54 -1.694 3.661 -8.589 1.00 0.48 C ATOM 835 O MET A 54 -1.511 3.052 -9.641 1.00 0.54 O ATOM 836 CB MET A 54 0.312 2.883 -7.284 1.00 0.52 C ATOM 837 CG MET A 54 1.125 4.171 -7.219 1.00 0.60 C ATOM 838 SD MET A 54 1.116 5.111 -8.762 1.00 1.08 S ATOM 839 CE MET A 54 1.919 3.955 -9.872 1.00 1.50 C ATOM 0 H MET A 54 -1.525 1.051 -7.622 1.00 0.44 H new ATOM 0 HA MET A 54 -1.443 3.778 -6.457 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.591 2.250 -6.442 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.583 2.344 -8.192 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.733 4.798 -6.419 1.00 0.60 H new ATOM 0 HG3 MET A 54 2.155 3.928 -6.957 1.00 0.60 H new ATOM 0 HE1 MET A 54 2.227 4.475 -10.779 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.795 3.529 -9.383 1.00 1.50 H new ATOM 0 HE3 MET A 54 1.224 3.156 -10.130 1.00 1.50 H new ATOM 849 N LYS A 55 -2.341 4.814 -8.527 1.00 0.52 N ATOM 850 CA LYS A 55 -2.848 5.462 -9.719 1.00 0.58 C ATOM 851 C LYS A 55 -2.489 6.937 -9.680 1.00 0.66 C ATOM 852 O LYS A 55 -2.778 7.625 -8.701 1.00 0.70 O ATOM 853 CB LYS A 55 -4.366 5.295 -9.822 1.00 0.72 C ATOM 854 CG LYS A 55 -4.907 5.449 -11.236 1.00 0.95 C ATOM 855 CD LYS A 55 -4.572 4.232 -12.087 1.00 0.94 C ATOM 856 CE LYS A 55 -5.079 4.369 -13.517 1.00 1.11 C ATOM 857 NZ LYS A 55 -4.322 5.386 -14.294 1.00 1.69 N ATOM 0 H LYS A 55 -2.526 5.319 -7.660 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.394 4.997 -10.594 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.640 4.310 -9.443 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.847 6.030 -9.177 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -5.988 5.586 -11.202 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.486 6.344 -11.694 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.492 4.086 -12.099 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -5.009 3.343 -11.633 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -5.006 3.404 -14.019 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -6.135 4.641 -13.501 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -4.737 5.478 -15.243 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -4.370 6.303 -13.805 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -3.329 5.090 -14.378 1.00 1.69 H new ATOM 871 N GLY A 56 -1.835 7.413 -10.727 1.00 0.77 N ATOM 872 CA GLY A 56 -1.445 8.808 -10.786 1.00 0.93 C ATOM 873 C GLY A 56 -0.379 9.146 -9.767 1.00 0.94 C ATOM 874 O GLY A 56 -0.402 10.220 -9.169 1.00 1.21 O ATOM 0 H GLY A 56 -1.566 6.858 -11.540 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.076 9.039 -11.785 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.320 9.436 -10.616 1.00 0.93 H new ATOM 878 N ASN A 57 0.551 8.213 -9.571 1.00 0.99 N ATOM 879 CA ASN A 57 1.654 8.382 -8.624 1.00 1.05 C ATOM 880 C ASN A 57 1.126 8.531 -7.192 1.00 0.97 C ATOM 881 O ASN A 57 1.766 9.131 -6.327 1.00 1.15 O ATOM 882 CB ASN A 57 2.523 9.580 -9.026 1.00 1.30 C ATOM 883 CG ASN A 57 3.825 9.645 -8.251 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.391 10.719 -8.056 1.00 2.10 O ATOM 885 ND2 ASN A 57 4.306 8.494 -7.800 1.00 2.90 N ATOM 0 H ASN A 57 0.562 7.320 -10.063 1.00 0.99 H new ATOM 0 HA ASN A 57 2.277 7.488 -8.653 1.00 1.05 H new ATOM 0 HB2 ASN A 57 2.742 9.523 -10.092 1.00 1.30 H new ATOM 0 HB3 ASN A 57 1.962 10.501 -8.864 1.00 1.30 H new ATOM 0 HD21 ASN A 57 5.177 8.478 -7.269 1.00 2.90 H new ATOM 0 HD22 ASN A 57 3.805 7.625 -7.984 1.00 2.90 H new ATOM 892 N GLU A 58 -0.025 7.931 -6.941 1.00 0.86 N ATOM 893 CA GLU A 58 -0.657 7.985 -5.630 1.00 0.84 C ATOM 894 C GLU A 58 -1.288 6.649 -5.292 1.00 0.69 C ATOM 895 O GLU A 58 -1.555 5.843 -6.174 1.00 0.75 O ATOM 896 CB GLU A 58 -1.719 9.079 -5.569 1.00 0.88 C ATOM 897 CG GLU A 58 -1.147 10.482 -5.655 1.00 1.05 C ATOM 898 CD GLU A 58 -2.176 11.552 -5.378 1.00 1.30 C ATOM 899 OE1 GLU A 58 -2.962 11.871 -6.291 1.00 1.63 O ATOM 900 OE2 GLU A 58 -2.217 12.062 -4.240 1.00 1.66 O ATOM 0 H GLU A 58 -0.547 7.395 -7.635 1.00 0.86 H new ATOM 0 HA GLU A 58 0.119 8.216 -4.901 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -2.427 8.933 -6.385 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -2.279 8.980 -4.639 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -0.328 10.580 -4.943 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -0.726 10.638 -6.648 1.00 1.05 H new ATOM 907 N ILE A 59 -1.525 6.422 -4.014 1.00 0.64 N ATOM 908 CA ILE A 59 -2.071 5.159 -3.561 1.00 0.56 C ATOM 909 C ILE A 59 -3.565 5.275 -3.253 1.00 0.55 C ATOM 910 O ILE A 59 -4.005 6.170 -2.527 1.00 0.63 O ATOM 911 CB ILE A 59 -1.277 4.629 -2.326 1.00 0.62 C ATOM 912 CG1 ILE A 59 -0.467 3.380 -2.697 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.183 4.335 -1.134 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.312 2.147 -2.941 1.00 0.92 C ATOM 0 H ILE A 59 -1.347 7.098 -3.271 1.00 0.64 H new ATOM 0 HA ILE A 59 -1.963 4.436 -4.369 1.00 0.56 H new ATOM 0 HB ILE A 59 -0.593 5.423 -2.026 1.00 0.62 H new ATOM 0 HG12 ILE A 59 0.116 3.591 -3.593 1.00 0.79 H new ATOM 0 HG13 ILE A 59 0.243 3.169 -1.897 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.582 3.969 -0.302 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.699 5.247 -0.835 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -2.916 3.578 -1.412 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.666 1.308 -3.198 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -1.876 1.908 -2.039 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -2.004 2.337 -3.762 1.00 0.92 H new ATOM 926 N PHE A 60 -4.335 4.391 -3.864 1.00 0.48 N ATOM 927 CA PHE A 60 -5.700 4.139 -3.448 1.00 0.48 C ATOM 928 C PHE A 60 -5.621 3.145 -2.312 1.00 0.48 C ATOM 929 O PHE A 60 -5.205 2.001 -2.484 1.00 0.45 O ATOM 930 CB PHE A 60 -6.531 3.624 -4.650 1.00 0.50 C ATOM 931 CG PHE A 60 -7.552 2.532 -4.377 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.173 1.207 -4.238 1.00 0.44 C ATOM 933 CD2 PHE A 60 -8.887 2.851 -4.198 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.112 0.231 -3.928 1.00 0.47 C ATOM 935 CE2 PHE A 60 -9.823 1.889 -3.901 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.402 0.486 -3.994 1.00 0.54 C ATOM 0 H PHE A 60 -4.031 3.830 -4.660 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.206 5.041 -3.104 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.055 4.474 -5.086 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -5.838 3.256 -5.406 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.138 0.930 -4.372 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.201 3.880 -4.294 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -7.779 -0.752 -3.628 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -10.829 2.155 -3.611 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.124 -0.308 -4.112 1.00 0.54 H new ATOM 946 N ARG A 61 -5.934 3.615 -1.133 1.00 0.60 N ATOM 947 CA ARG A 61 -5.909 2.764 0.027 1.00 0.70 C ATOM 948 C ARG A 61 -7.332 2.650 0.509 1.00 0.69 C ATOM 949 O ARG A 61 -7.838 3.560 1.169 1.00 0.88 O ATOM 950 CB ARG A 61 -4.985 3.342 1.108 1.00 1.03 C ATOM 951 CG ARG A 61 -4.671 2.383 2.247 1.00 1.21 C ATOM 952 CD ARG A 61 -5.762 2.357 3.309 1.00 1.51 C ATOM 953 NE ARG A 61 -5.868 3.636 4.011 1.00 2.25 N ATOM 954 CZ ARG A 61 -5.794 3.767 5.338 1.00 2.70 C ATOM 955 NH1 ARG A 61 -5.600 2.698 6.103 1.00 2.72 N ATOM 956 NH2 ARG A 61 -5.910 4.970 5.895 1.00 3.56 N ATOM 0 H ARG A 61 -6.209 4.580 -0.951 1.00 0.60 H new ATOM 0 HA ARG A 61 -5.511 1.778 -0.214 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -4.050 3.651 0.642 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.447 4.239 1.521 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -4.537 1.379 1.845 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -3.726 2.670 2.709 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -6.718 2.118 2.842 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -5.551 1.565 4.027 1.00 1.51 H new ATOM 0 HE ARG A 61 -6.007 4.479 3.453 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.507 1.776 5.677 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -5.544 2.799 7.116 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -6.055 5.792 5.308 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -5.854 5.070 6.908 1.00 3.56 H new ATOM 970 N LEU A 62 -7.939 1.507 0.221 1.00 0.78 N ATOM 971 CA LEU A 62 -9.400 1.326 0.326 1.00 1.07 C ATOM 972 C LEU A 62 -10.201 2.346 -0.494 1.00 1.19 C ATOM 973 O LEU A 62 -11.248 2.009 -1.046 1.00 1.40 O ATOM 974 CB LEU A 62 -9.852 1.446 1.777 1.00 1.26 C ATOM 975 CG LEU A 62 -9.776 0.173 2.602 1.00 1.08 C ATOM 976 CD1 LEU A 62 -10.570 -0.927 1.914 1.00 1.36 C ATOM 977 CD2 LEU A 62 -8.328 -0.245 2.835 1.00 1.32 C ATOM 0 H LEU A 62 -7.442 0.673 -0.093 1.00 0.78 H new ATOM 0 HA LEU A 62 -9.597 0.331 -0.072 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -9.245 2.209 2.265 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.882 1.803 1.788 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.215 0.358 3.582 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -10.515 -1.840 2.506 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -11.611 -0.619 1.818 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -10.154 -1.111 0.924 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -8.304 -1.159 3.428 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -7.842 -0.422 1.876 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -7.802 0.547 3.368 1.00 1.32 H new