USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 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 6 ASN : amide:sc= 0.252 X(o=0.54,f=0.46) USER MOD Set 1.2: A 59 TYR OH : rot 116:sc= 0.289 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 160:sc= -4.47! (180deg=-6.09!) USER MOD Set 2.2: A 57 GLN :FLIP amide:sc= -0.493 F(o=-6.9!,f=-5) USER MOD Set 3.1: A 51 ASN : amide:sc= -8.33! C(o=-12!,f=-16!) USER MOD Set 3.2: A 52 HIS : no HD1:sc= -3.9! C(o=-12!,f=-12!) USER MOD Single : A 7 SER OG : rot 124:sc= 1.03 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.67) USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -0.789 (180deg=-1.67) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.57! USER MOD Single : A 22 CYS SG : rot 180:sc= -0.388 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 91:sc= -1.16 USER MOD Single : A 29 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.4) USER MOD Single : A 33 SER OG : rot 114:sc= 1.01 USER MOD Single : A 34 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.13) USER MOD Single : A 38 LYS NZ :NH3+ -128:sc= -0.637 (180deg=-4.94!) USER MOD Single : A 39 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.066 F(o=-2.2!,f=-0.066) USER MOD Single : A 61 GLN :FLIP amide:sc= -4.31! C(o=-5.6!,f=-4.3!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.9!) USER MOD Single : A 64 THR OG1 : rot -90:sc= 0.503! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= -4.03! (180deg=-4.47!) USER MOD Single : A 78 SER OG : rot 100:sc= 0.0224 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -3 K(o=-3,f=-7.9!) USER MOD Single : A 90 GLN : amide:sc= -9.88! C(o=-9.9!,f=-15!) USER MOD Single : A 91 SER OG : rot 125:sc= 1.16 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= -0.0506 (180deg=-0.6) USER MOD Single : A 100 GLN :FLIP amide:sc= -3.65 F(o=-7.7!,f=-3.7) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 17.587 43.259 0.095 1.00 0.00 N ATOM 31 CA GLU A 3 18.775 42.672 -0.588 1.00 0.00 C ATOM 32 C GLU A 3 19.731 42.086 0.453 1.00 0.00 C ATOM 33 O GLU A 3 20.667 41.386 0.124 1.00 0.00 O ATOM 34 CB GLU A 3 19.494 43.767 -1.378 1.00 0.00 C ATOM 35 CG GLU A 3 18.467 44.578 -2.169 1.00 0.00 C ATOM 36 CD GLU A 3 19.185 45.463 -3.189 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.397 45.360 -3.285 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.511 46.231 -3.856 1.00 0.00 O ATOM 0 HA GLU A 3 18.451 41.881 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.044 44.419 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.223 43.323 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.774 43.908 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.875 45.194 -1.491 1.00 0.00 H new ATOM 45 N PHE A 4 19.509 42.373 1.705 1.00 11.75 N ATOM 46 CA PHE A 4 20.410 41.842 2.765 1.00 10.29 C ATOM 47 C PHE A 4 20.369 40.311 2.789 1.00 10.97 C ATOM 48 O PHE A 4 21.308 39.651 2.390 1.00 7.53 O ATOM 49 CB PHE A 4 19.965 42.391 4.127 1.00 11.72 C ATOM 50 CG PHE A 4 20.895 43.503 4.567 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.960 44.699 3.839 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.693 43.334 5.706 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.821 45.724 4.253 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.553 44.359 6.118 1.00 19.72 C ATOM 55 CZ PHE A 4 22.618 45.553 5.392 1.00 20.03 C ATOM 0 H PHE A 4 18.741 42.954 2.041 1.00 11.75 H new ATOM 0 HA PHE A 4 21.431 42.158 2.553 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.943 42.765 4.061 1.00 11.72 H new ATOM 0 HB3 PHE A 4 19.965 41.592 4.868 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.347 44.830 2.960 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.645 42.412 6.267 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.870 46.646 3.693 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.167 44.228 6.997 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.283 46.343 5.710 1.00 20.03 H new ATOM 65 N VAL A 5 19.300 39.740 3.271 1.00 10.96 N ATOM 66 CA VAL A 5 19.222 38.253 3.339 1.00 12.03 C ATOM 67 C VAL A 5 19.028 37.677 1.934 1.00 12.91 C ATOM 68 O VAL A 5 19.571 36.644 1.600 1.00 10.57 O ATOM 69 CB VAL A 5 18.048 37.847 4.236 1.00 12.04 C ATOM 70 CG1 VAL A 5 17.999 38.769 5.456 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.734 37.969 3.459 1.00 9.23 C ATOM 0 H VAL A 5 18.480 40.236 3.620 1.00 10.96 H new ATOM 0 HA VAL A 5 20.149 37.860 3.756 1.00 12.03 H new ATOM 0 HB VAL A 5 18.183 36.814 4.558 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.164 38.482 6.096 1.00 5.33 H new ATOM 0 HG12 VAL A 5 18.931 38.683 6.015 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.867 39.800 5.128 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.903 37.679 4.102 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.598 39.000 3.133 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.764 37.315 2.588 1.00 9.23 H new ATOM 81 N ASN A 6 18.265 38.335 1.109 1.00 13.95 N ATOM 82 CA ASN A 6 18.047 37.820 -0.267 1.00 13.93 C ATOM 83 C ASN A 6 19.401 37.628 -0.956 1.00 14.98 C ATOM 84 O ASN A 6 19.608 36.678 -1.684 1.00 13.88 O ATOM 85 CB ASN A 6 17.208 38.827 -1.053 1.00 19.23 C ATOM 86 CG ASN A 6 15.742 38.719 -0.628 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.202 39.630 -0.033 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.070 37.637 -0.911 1.00 26.59 N ATOM 0 H ASN A 6 17.783 39.207 1.329 1.00 13.95 H new ATOM 0 HA ASN A 6 17.524 36.865 -0.226 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.575 39.838 -0.875 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.302 38.637 -2.122 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.092 37.557 -0.633 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.523 36.872 -1.411 1.00 26.59 H new ATOM 95 N SER A 7 20.329 38.519 -0.728 1.00 0.00 N ATOM 96 CA SER A 7 21.669 38.377 -1.367 1.00 0.00 C ATOM 97 C SER A 7 22.444 37.259 -0.669 1.00 0.00 C ATOM 98 O SER A 7 23.492 36.839 -1.118 1.00 0.00 O ATOM 99 CB SER A 7 22.440 39.691 -1.235 1.00 0.00 C ATOM 100 OG SER A 7 21.754 40.712 -1.948 1.00 0.00 O ATOM 0 H SER A 7 20.217 39.337 -0.129 1.00 0.00 H new ATOM 0 HA SER A 7 21.547 38.134 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.535 39.966 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.450 39.574 -1.627 1.00 0.00 H new ATOM 0 HG SER A 7 21.565 41.461 -1.345 1.00 0.00 H new ATOM 106 N LYS A 8 21.939 36.779 0.435 1.00 13.50 N ATOM 107 CA LYS A 8 22.643 35.694 1.175 1.00 11.83 C ATOM 108 C LYS A 8 22.058 34.337 0.777 1.00 12.94 C ATOM 109 O LYS A 8 22.770 33.434 0.385 1.00 11.22 O ATOM 110 CB LYS A 8 22.446 35.904 2.678 1.00 13.35 C ATOM 111 CG LYS A 8 23.107 37.218 3.109 1.00 9.72 C ATOM 112 CD LYS A 8 24.606 36.999 3.341 1.00 17.72 C ATOM 113 CE LYS A 8 25.209 38.242 3.998 1.00 15.70 C ATOM 114 NZ LYS A 8 26.687 38.236 3.809 1.00 22.87 N ATOM 0 H LYS A 8 21.065 37.093 0.858 1.00 13.50 H new ATOM 0 HA LYS A 8 23.705 35.717 0.931 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.382 35.926 2.915 1.00 13.35 H new ATOM 0 HB3 LYS A 8 22.878 35.070 3.231 1.00 13.35 H new ATOM 0 HG2 LYS A 8 22.956 37.979 2.343 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.640 37.588 4.022 1.00 9.72 H new ATOM 0 HD2 LYS A 8 24.763 36.127 3.976 1.00 17.72 H new ATOM 0 HD3 LYS A 8 25.106 36.797 2.393 1.00 17.72 H new ATOM 0 HE2 LYS A 8 24.779 39.143 3.560 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.968 38.258 5.061 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 27.098 39.081 4.255 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 27.090 37.383 4.247 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 26.907 38.240 2.793 1.00 22.87 H new ATOM 128 N ILE A 9 20.768 34.186 0.883 1.00 11.05 N ATOM 129 CA ILE A 9 20.136 32.887 0.521 1.00 13.61 C ATOM 130 C ILE A 9 19.985 32.782 -0.997 1.00 12.23 C ATOM 131 O ILE A 9 19.434 33.652 -1.644 1.00 12.72 O ATOM 132 CB ILE A 9 18.753 32.794 1.163 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.916 33.986 0.695 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.894 32.803 2.689 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.877 34.362 1.755 1.00 25.19 C ATOM 0 H ILE A 9 20.123 34.907 1.205 1.00 11.05 H new ATOM 0 HA ILE A 9 20.769 32.076 0.881 1.00 13.61 H new ATOM 0 HB ILE A 9 18.260 31.868 0.868 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.566 34.838 0.496 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.416 33.741 -0.242 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.907 32.737 3.146 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.497 31.952 3.004 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.378 33.727 3.004 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.291 35.212 1.405 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.216 33.514 1.933 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.384 34.628 2.683 1.00 25.19 H new ATOM 147 N GLN A 10 20.455 31.708 -1.561 1.00 11.13 N ATOM 148 CA GLN A 10 20.333 31.507 -3.028 1.00 10.86 C ATOM 149 C GLN A 10 20.228 29.993 -3.296 1.00 10.00 C ATOM 150 O GLN A 10 20.664 29.203 -2.483 1.00 10.42 O ATOM 151 CB GLN A 10 21.553 32.129 -3.735 1.00 14.27 C ATOM 152 CG GLN A 10 22.517 31.046 -4.222 1.00 22.05 C ATOM 153 CD GLN A 10 23.807 31.704 -4.712 1.00 30.84 C ATOM 154 OE1 GLN A 10 23.782 32.802 -5.234 1.00 32.99 O ATOM 155 NE2 GLN A 10 24.941 31.078 -4.564 1.00 34.61 N ATOM 0 H GLN A 10 20.924 30.952 -1.062 1.00 11.13 H new ATOM 0 HA GLN A 10 19.442 31.997 -3.420 1.00 10.86 H new ATOM 0 HB2 GLN A 10 21.220 32.731 -4.580 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.071 32.800 -3.050 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.735 30.347 -3.415 1.00 22.05 H new ATOM 0 HG3 GLN A 10 22.060 30.471 -5.027 1.00 22.05 H new ATOM 0 HE21 GLN A 10 24.962 30.157 -4.126 1.00 34.61 H new ATOM 0 HE22 GLN A 10 25.807 31.509 -4.886 1.00 34.61 H new ATOM 164 N PRO A 11 19.639 29.630 -4.410 1.00 6.53 N ATOM 165 CA PRO A 11 19.455 28.210 -4.768 1.00 7.75 C ATOM 166 C PRO A 11 20.785 27.447 -4.746 1.00 6.33 C ATOM 167 O PRO A 11 21.764 27.856 -5.340 1.00 9.49 O ATOM 168 CB PRO A 11 18.859 28.235 -6.184 1.00 8.32 C ATOM 169 CG PRO A 11 18.622 29.718 -6.565 1.00 7.94 C ATOM 170 CD PRO A 11 19.121 30.587 -5.402 1.00 11.72 C ATOM 0 HA PRO A 11 18.809 27.696 -4.057 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.537 27.761 -6.894 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.923 27.677 -6.216 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.154 29.966 -7.483 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.564 29.900 -6.751 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.899 31.277 -5.729 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.315 31.191 -4.985 1.00 11.72 H new ATOM 178 N GLY A 12 20.809 26.326 -4.078 1.00 5.64 N ATOM 179 CA GLY A 12 22.048 25.503 -4.021 1.00 8.39 C ATOM 180 C GLY A 12 23.045 26.087 -3.017 1.00 7.67 C ATOM 181 O GLY A 12 24.235 25.857 -3.115 1.00 10.24 O ATOM 0 H GLY A 12 20.015 25.943 -3.565 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.798 24.480 -3.738 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.505 25.458 -5.009 1.00 8.39 H new ATOM 185 N LYS A 13 22.584 26.839 -2.053 1.00 9.66 N ATOM 186 CA LYS A 13 23.529 27.424 -1.056 1.00 10.29 C ATOM 187 C LYS A 13 22.889 27.421 0.333 1.00 10.20 C ATOM 188 O LYS A 13 21.754 27.819 0.504 1.00 6.89 O ATOM 189 CB LYS A 13 23.859 28.862 -1.457 1.00 9.77 C ATOM 190 CG LYS A 13 24.975 29.407 -0.563 1.00 10.63 C ATOM 191 CD LYS A 13 25.580 30.655 -1.209 1.00 12.04 C ATOM 192 CE LYS A 13 26.786 31.118 -0.391 1.00 19.12 C ATOM 193 NZ LYS A 13 27.765 30.000 -0.274 1.00 25.36 N ATOM 0 H LYS A 13 21.601 27.073 -1.913 1.00 9.66 H new ATOM 0 HA LYS A 13 24.441 26.827 -1.032 1.00 10.29 H new ATOM 0 HB2 LYS A 13 24.168 28.896 -2.502 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.971 29.487 -1.367 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.580 29.650 0.423 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.745 28.649 -0.420 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.884 30.437 -2.233 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.835 31.449 -1.260 1.00 12.04 H new ATOM 0 HE2 LYS A 13 27.255 31.978 -0.869 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.465 31.440 0.600 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 28.722 30.388 -0.148 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 27.521 29.409 0.546 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 27.737 29.422 -1.138 1.00 25.36 H new ATOM 207 N VAL A 14 23.615 26.985 1.330 1.00 10.89 N ATOM 208 CA VAL A 14 23.056 26.968 2.709 1.00 9.99 C ATOM 209 C VAL A 14 23.583 28.182 3.476 1.00 5.01 C ATOM 210 O VAL A 14 24.749 28.514 3.403 1.00 6.68 O ATOM 211 CB VAL A 14 23.487 25.683 3.421 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.943 25.681 4.851 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.932 24.472 2.669 1.00 5.86 C ATOM 0 H VAL A 14 24.571 26.640 1.246 1.00 10.89 H new ATOM 0 HA VAL A 14 21.967 27.005 2.666 1.00 9.99 H new ATOM 0 HB VAL A 14 24.576 25.633 3.445 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.251 24.765 5.356 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.335 26.543 5.391 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.855 25.733 4.826 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.239 23.557 3.176 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.844 24.526 2.645 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.318 24.469 1.649 1.00 5.86 H new ATOM 223 N VAL A 15 22.734 28.849 4.211 1.00 3.11 N ATOM 224 CA VAL A 15 23.184 30.042 4.985 1.00 10.10 C ATOM 225 C VAL A 15 22.464 30.046 6.336 1.00 9.35 C ATOM 226 O VAL A 15 21.323 29.639 6.438 1.00 11.00 O ATOM 227 CB VAL A 15 22.864 31.321 4.178 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.732 32.120 4.837 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.117 32.200 4.093 1.00 10.96 C ATOM 0 H VAL A 15 21.745 28.618 4.309 1.00 3.11 H new ATOM 0 HA VAL A 15 24.259 30.009 5.159 1.00 10.10 H new ATOM 0 HB VAL A 15 22.545 31.024 3.179 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.528 33.014 4.249 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.833 31.505 4.886 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.030 32.409 5.845 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.891 33.102 3.524 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.437 32.476 5.098 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.915 31.648 3.597 1.00 10.96 H new ATOM 239 N VAL A 16 23.125 30.482 7.378 1.00 8.87 N ATOM 240 CA VAL A 16 22.483 30.484 8.721 1.00 5.41 C ATOM 241 C VAL A 16 22.607 31.858 9.379 1.00 6.62 C ATOM 242 O VAL A 16 23.688 32.396 9.527 1.00 8.94 O ATOM 243 CB VAL A 16 23.173 29.449 9.610 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.446 29.355 10.952 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.144 28.085 8.925 1.00 5.31 C ATOM 0 H VAL A 16 24.081 30.836 7.354 1.00 8.87 H new ATOM 0 HA VAL A 16 21.427 30.242 8.601 1.00 5.41 H new ATOM 0 HB VAL A 16 24.206 29.753 9.777 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.941 28.616 11.583 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.467 30.326 11.446 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.411 29.055 10.785 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.636 27.348 9.560 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.110 27.785 8.756 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.665 28.146 7.970 1.00 5.31 H new ATOM 255 N PHE A 17 21.507 32.412 9.808 1.00 5.51 N ATOM 256 CA PHE A 17 21.545 33.728 10.496 1.00 5.80 C ATOM 257 C PHE A 17 21.649 33.461 11.997 1.00 7.23 C ATOM 258 O PHE A 17 20.845 32.745 12.560 1.00 5.39 O ATOM 259 CB PHE A 17 20.262 34.497 10.185 1.00 5.73 C ATOM 260 CG PHE A 17 20.254 34.886 8.726 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.955 33.931 7.746 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.549 36.202 8.352 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.950 34.293 6.394 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.544 36.564 7.000 1.00 5.88 C ATOM 265 CZ PHE A 17 20.245 35.609 6.021 1.00 5.73 C ATOM 0 H PHE A 17 20.577 32.004 9.709 1.00 5.51 H new ATOM 0 HA PHE A 17 22.395 34.322 10.160 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.391 33.882 10.414 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.197 35.387 10.811 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.728 32.915 8.034 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.781 36.939 9.107 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.718 33.557 5.639 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.771 37.580 6.712 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.242 35.888 4.978 1.00 5.73 H new ATOM 275 N ILE A 18 22.647 33.992 12.648 1.00 8.64 N ATOM 276 CA ILE A 18 22.807 33.718 14.107 1.00 6.83 C ATOM 277 C ILE A 18 23.073 35.000 14.886 1.00 10.62 C ATOM 278 O ILE A 18 23.097 36.091 14.354 1.00 6.74 O ATOM 279 CB ILE A 18 23.999 32.776 14.307 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.251 33.391 13.670 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.712 31.418 13.655 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.480 32.589 14.103 1.00 8.36 C ATOM 0 H ILE A 18 23.355 34.600 12.237 1.00 8.64 H new ATOM 0 HA ILE A 18 21.883 33.270 14.473 1.00 6.83 H new ATOM 0 HB ILE A 18 24.162 32.633 15.375 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.162 33.385 12.584 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.355 34.432 13.975 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.565 30.756 13.803 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.826 30.976 14.111 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.540 31.556 12.587 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.374 33.021 13.653 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.570 32.619 15.189 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.373 31.555 13.776 1.00 8.36 H new ATOM 294 N LYS A 19 23.297 34.841 16.157 1.00 12.12 N ATOM 295 CA LYS A 19 23.597 35.988 17.049 1.00 15.62 C ATOM 296 C LYS A 19 24.634 35.488 18.063 1.00 16.36 C ATOM 297 O LYS A 19 24.269 34.912 19.069 1.00 13.35 O ATOM 298 CB LYS A 19 22.320 36.416 17.791 1.00 18.25 C ATOM 299 CG LYS A 19 21.433 37.286 16.878 1.00 25.24 C ATOM 300 CD LYS A 19 20.801 38.429 17.687 1.00 30.64 C ATOM 301 CE LYS A 19 19.820 37.866 18.722 1.00 31.75 C ATOM 302 NZ LYS A 19 18.521 37.547 18.061 1.00 38.73 N ATOM 0 H LYS A 19 23.284 33.936 16.627 1.00 12.12 H new ATOM 0 HA LYS A 19 23.969 36.843 16.484 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.766 35.534 18.113 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.584 36.973 18.690 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.029 37.694 16.062 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.652 36.674 16.427 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.580 39.003 18.188 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.281 39.114 17.017 1.00 30.64 H new ATOM 0 HE2 LYS A 19 20.236 36.969 19.181 1.00 31.75 H new ATOM 0 HE3 LYS A 19 19.664 38.590 19.521 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 17.989 36.874 18.648 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 17.967 38.419 17.946 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.701 37.125 17.128 1.00 38.73 H new ATOM 316 N PRO A 20 25.898 35.679 17.759 1.00 17.46 N ATOM 317 CA PRO A 20 26.982 35.199 18.630 1.00 20.12 C ATOM 318 C PRO A 20 26.712 35.589 20.082 1.00 24.12 C ATOM 319 O PRO A 20 27.222 36.570 20.588 1.00 24.58 O ATOM 320 CB PRO A 20 28.252 35.852 18.072 1.00 20.63 C ATOM 321 CG PRO A 20 27.884 36.476 16.702 1.00 18.08 C ATOM 322 CD PRO A 20 26.353 36.397 16.553 1.00 17.14 C ATOM 0 HA PRO A 20 27.074 34.113 18.636 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.624 36.616 18.755 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.046 35.114 17.957 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.221 37.511 16.649 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.376 35.939 15.891 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.909 37.391 16.492 1.00 17.14 H new ATOM 0 HD3 PRO A 20 26.070 35.865 15.645 1.00 17.14 H new ATOM 330 N THR A 21 25.901 34.813 20.749 1.00 24.78 N ATOM 331 CA THR A 21 25.569 35.102 22.167 1.00 27.36 C ATOM 332 C THR A 21 24.585 34.042 22.676 1.00 24.99 C ATOM 333 O THR A 21 24.627 33.647 23.825 1.00 26.49 O ATOM 334 CB THR A 21 24.931 36.498 22.272 1.00 28.64 C ATOM 335 OG1 THR A 21 24.760 37.034 20.968 1.00 30.99 O ATOM 336 CG2 THR A 21 25.832 37.429 23.091 1.00 34.82 C ATOM 0 H THR A 21 25.451 33.982 20.364 1.00 24.78 H new ATOM 0 HA THR A 21 26.476 35.079 22.771 1.00 27.36 H new ATOM 0 HB THR A 21 23.964 36.413 22.768 1.00 28.64 H new ATOM 0 HG1 THR A 21 24.353 37.923 21.031 1.00 30.99 H new ATOM 0 HG21 THR A 21 25.371 38.414 23.159 1.00 34.82 H new ATOM 0 HG22 THR A 21 25.963 37.020 24.093 1.00 34.82 H new ATOM 0 HG23 THR A 21 26.804 37.516 22.604 1.00 34.82 H new ATOM 344 N CYS A 22 23.690 33.584 21.835 1.00 21.46 N ATOM 345 CA CYS A 22 22.704 32.559 22.289 1.00 17.23 C ATOM 346 C CYS A 22 23.173 31.146 21.877 1.00 14.71 C ATOM 347 O CYS A 22 23.531 30.933 20.735 1.00 13.71 O ATOM 348 CB CYS A 22 21.342 32.860 21.665 1.00 15.71 C ATOM 349 SG CYS A 22 20.051 32.565 22.897 1.00 9.78 S ATOM 0 H CYS A 22 23.601 33.874 20.861 1.00 21.46 H new ATOM 0 HA CYS A 22 22.623 32.594 23.375 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.305 33.894 21.322 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.180 32.228 20.792 1.00 15.71 H new ATOM 0 HG CYS A 22 18.888 32.821 22.376 1.00 9.78 H new ATOM 354 N PRO A 23 23.165 30.223 22.822 1.00 13.86 N ATOM 355 CA PRO A 23 23.594 28.828 22.572 1.00 13.47 C ATOM 356 C PRO A 23 22.753 28.135 21.486 1.00 8.59 C ATOM 357 O PRO A 23 23.176 27.153 20.911 1.00 10.79 O ATOM 358 CB PRO A 23 23.415 28.113 23.917 1.00 11.94 C ATOM 359 CG PRO A 23 22.968 29.164 24.953 1.00 7.24 C ATOM 360 CD PRO A 23 22.740 30.489 24.212 1.00 12.58 C ATOM 0 HA PRO A 23 24.620 28.801 22.206 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.672 27.320 23.832 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.348 27.643 24.227 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.053 28.843 25.452 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.727 29.285 25.726 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.694 30.791 24.255 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.323 31.296 24.656 1.00 12.58 H new ATOM 368 N TYR A 24 21.572 28.616 21.198 1.00 0.00 N ATOM 369 CA TYR A 24 20.748 27.942 20.150 1.00 0.00 C ATOM 370 C TYR A 24 21.371 28.180 18.776 1.00 0.00 C ATOM 371 O TYR A 24 21.487 27.273 17.975 1.00 0.00 O ATOM 372 CB TYR A 24 19.317 28.484 20.170 1.00 0.00 C ATOM 373 CG TYR A 24 18.509 27.738 21.206 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.575 28.107 22.555 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.690 26.673 20.809 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.820 27.411 23.507 1.00 0.00 C ATOM 377 CE2 TYR A 24 16.936 25.977 21.762 1.00 0.00 C ATOM 378 CZ TYR A 24 17.002 26.346 23.111 1.00 0.00 C ATOM 379 OH TYR A 24 16.257 25.661 24.049 1.00 0.00 O ATOM 0 H TYR A 24 21.147 29.434 21.635 1.00 0.00 H new ATOM 0 HA TYR A 24 20.721 26.872 20.356 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.324 29.550 20.397 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.860 28.371 19.187 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.207 28.927 22.861 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.640 26.389 19.768 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.869 27.696 24.548 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.304 25.156 21.457 1.00 0.00 H new ATOM 0 HH TYR A 24 15.744 24.953 23.606 1.00 0.00 H new ATOM 389 N SER A 25 21.787 29.378 18.497 1.00 0.00 N ATOM 390 CA SER A 25 22.414 29.641 17.176 1.00 0.00 C ATOM 391 C SER A 25 23.712 28.838 17.095 1.00 0.00 C ATOM 392 O SER A 25 24.110 28.373 16.045 1.00 0.00 O ATOM 393 CB SER A 25 22.715 31.135 17.045 1.00 0.00 C ATOM 394 OG SER A 25 21.932 31.854 17.989 1.00 0.00 O ATOM 0 H SER A 25 21.722 30.183 19.121 1.00 0.00 H new ATOM 0 HA SER A 25 21.743 29.346 16.369 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.775 31.321 17.217 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.491 31.476 16.034 1.00 0.00 H new ATOM 0 HG SER A 25 22.434 31.950 18.825 1.00 0.00 H new ATOM 400 N ARG A 26 24.361 28.657 18.210 1.00 16.21 N ATOM 401 CA ARG A 26 25.620 27.864 18.225 1.00 15.67 C ATOM 402 C ARG A 26 25.295 26.423 17.828 1.00 13.70 C ATOM 403 O ARG A 26 25.990 25.812 17.042 1.00 12.41 O ATOM 404 CB ARG A 26 26.215 27.888 19.636 1.00 22.04 C ATOM 405 CG ARG A 26 26.962 29.209 19.861 1.00 31.64 C ATOM 406 CD ARG A 26 28.403 29.078 19.361 1.00 43.08 C ATOM 407 NE ARG A 26 29.085 27.948 20.071 1.00 52.93 N ATOM 408 CZ ARG A 26 29.104 27.878 21.376 1.00 57.80 C ATOM 409 NH1 ARG A 26 28.694 28.884 22.099 1.00 58.61 N ATOM 410 NH2 ARG A 26 29.587 26.816 21.961 1.00 59.59 N ATOM 0 H ARG A 26 24.072 29.026 19.116 1.00 16.21 H new ATOM 0 HA ARG A 26 26.340 28.287 17.525 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.423 27.776 20.377 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.896 27.047 19.768 1.00 22.04 H new ATOM 0 HG2 ARG A 26 26.456 30.018 19.334 1.00 31.64 H new ATOM 0 HG3 ARG A 26 26.956 29.465 20.920 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.410 28.901 18.285 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.944 30.008 19.535 1.00 43.08 H new ATOM 0 HE ARG A 26 29.544 27.219 19.525 1.00 52.93 H new ATOM 0 HH11 ARG A 26 28.355 29.733 21.646 1.00 58.61 H new ATOM 0 HH12 ARG A 26 28.712 28.821 23.117 1.00 58.61 H new ATOM 0 HH21 ARG A 26 29.948 26.044 21.400 1.00 59.59 H new ATOM 0 HH22 ARG A 26 29.604 26.758 22.979 1.00 59.59 H new ATOM 424 N ARG A 27 24.233 25.880 18.361 1.00 0.00 N ATOM 425 CA ARG A 27 23.851 24.486 18.006 1.00 0.00 C ATOM 426 C ARG A 27 23.804 24.372 16.482 1.00 0.00 C ATOM 427 O ARG A 27 24.320 23.438 15.900 1.00 0.00 O ATOM 428 CB ARG A 27 22.469 24.174 18.596 1.00 0.00 C ATOM 429 CG ARG A 27 22.626 23.420 19.922 1.00 0.00 C ATOM 430 CD ARG A 27 21.364 23.606 20.770 1.00 0.00 C ATOM 431 NE ARG A 27 21.326 22.587 21.870 1.00 0.00 N ATOM 432 CZ ARG A 27 21.443 21.310 21.621 1.00 0.00 C ATOM 433 NH1 ARG A 27 21.437 20.872 20.390 1.00 0.00 N ATOM 434 NH2 ARG A 27 21.519 20.463 22.610 1.00 0.00 N ATOM 0 H ARG A 27 23.615 26.343 19.027 1.00 0.00 H new ATOM 0 HA ARG A 27 24.576 23.778 18.408 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.915 25.099 18.757 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.891 23.575 17.893 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.796 22.360 19.732 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.497 23.791 20.462 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.346 24.610 21.193 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.478 23.509 20.143 1.00 0.00 H new ATOM 0 HE ARG A 27 21.206 22.898 22.834 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.341 21.529 19.615 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.529 19.873 20.204 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.487 20.799 23.573 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.610 19.465 22.421 1.00 0.00 H new ATOM 448 N ALA A 28 23.199 25.328 15.832 1.00 0.00 N ATOM 449 CA ALA A 28 23.132 25.287 14.348 1.00 0.00 C ATOM 450 C ALA A 28 24.557 25.305 13.792 1.00 0.00 C ATOM 451 O ALA A 28 24.867 24.643 12.823 1.00 0.00 O ATOM 452 CB ALA A 28 22.366 26.509 13.839 1.00 0.00 C ATOM 0 H ALA A 28 22.749 26.134 16.266 1.00 0.00 H new ATOM 0 HA ALA A 28 22.619 24.382 14.022 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.316 26.480 12.751 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.356 26.502 14.249 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.879 27.417 14.155 1.00 0.00 H new ATOM 458 N GLN A 29 25.427 26.057 14.409 1.00 19.83 N ATOM 459 CA GLN A 29 26.834 26.118 13.932 1.00 20.83 C ATOM 460 C GLN A 29 27.525 24.786 14.225 1.00 20.95 C ATOM 461 O GLN A 29 28.274 24.267 13.422 1.00 22.85 O ATOM 462 CB GLN A 29 27.573 27.239 14.672 1.00 21.33 C ATOM 463 CG GLN A 29 27.039 28.606 14.229 1.00 34.02 C ATOM 464 CD GLN A 29 28.104 29.678 14.476 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.029 30.416 15.438 1.00 42.72 O ATOM 466 NE2 GLN A 29 29.099 29.795 13.640 1.00 45.49 N ATOM 0 H GLN A 29 25.221 26.633 15.225 1.00 19.83 H new ATOM 0 HA GLN A 29 26.847 26.313 12.860 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.444 27.121 15.748 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.642 27.175 14.470 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.774 28.579 13.172 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.130 28.848 14.779 1.00 34.02 H new ATOM 0 HE21 GLN A 29 29.162 29.175 12.832 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.814 30.506 13.794 1.00 45.49 H new ATOM 475 N GLU A 30 27.287 24.245 15.384 1.00 22.87 N ATOM 476 CA GLU A 30 27.932 22.957 15.769 1.00 23.32 C ATOM 477 C GLU A 30 27.369 21.790 14.946 1.00 22.32 C ATOM 478 O GLU A 30 28.087 20.879 14.582 1.00 25.42 O ATOM 479 CB GLU A 30 27.669 22.692 17.254 1.00 24.18 C ATOM 480 CG GLU A 30 28.564 23.595 18.107 1.00 32.27 C ATOM 481 CD GLU A 30 28.180 23.446 19.581 1.00 34.97 C ATOM 482 OE1 GLU A 30 27.075 23.832 19.926 1.00 32.92 O ATOM 483 OE2 GLU A 30 28.995 22.946 20.338 1.00 34.69 O ATOM 0 H GLU A 30 26.667 24.642 16.090 1.00 22.87 H new ATOM 0 HA GLU A 30 29.002 23.034 15.576 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.621 22.879 17.486 1.00 24.18 H new ATOM 0 HB3 GLU A 30 27.865 21.645 17.487 1.00 24.18 H new ATOM 0 HG2 GLU A 30 29.611 23.328 17.964 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.455 24.634 17.795 1.00 32.27 H new ATOM 490 N ILE A 31 26.091 21.787 14.673 1.00 0.00 N ATOM 491 CA ILE A 31 25.502 20.648 13.905 1.00 0.00 C ATOM 492 C ILE A 31 25.838 20.770 12.412 1.00 0.00 C ATOM 493 O ILE A 31 26.437 19.882 11.838 1.00 0.00 O ATOM 494 CB ILE A 31 23.982 20.620 14.129 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.405 19.261 13.692 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.301 21.750 13.356 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.597 19.037 12.185 1.00 0.00 C ATOM 0 H ILE A 31 25.433 22.517 14.945 1.00 0.00 H new ATOM 0 HA ILE A 31 25.930 19.711 14.261 1.00 0.00 H new ATOM 0 HB ILE A 31 23.790 20.763 15.192 1.00 0.00 H new ATOM 0 HG12 ILE A 31 23.893 18.460 14.247 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.344 19.217 13.937 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.225 21.712 13.528 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.689 22.710 13.697 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.502 21.635 12.291 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.180 18.070 11.905 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.087 19.826 11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.660 19.056 11.947 1.00 0.00 H new ATOM 509 N LEU A 32 25.468 21.844 11.768 1.00 16.72 N ATOM 510 CA LEU A 32 25.783 21.975 10.322 1.00 15.05 C ATOM 511 C LEU A 32 27.293 21.863 10.120 1.00 15.55 C ATOM 512 O LEU A 32 27.762 21.539 9.047 1.00 17.28 O ATOM 513 CB LEU A 32 25.267 23.323 9.802 1.00 12.57 C ATOM 514 CG LEU A 32 23.848 23.153 9.226 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.050 24.445 9.414 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.941 22.830 7.728 1.00 12.45 C ATOM 0 H LEU A 32 24.965 22.630 12.180 1.00 16.72 H new ATOM 0 HA LEU A 32 25.293 21.177 9.763 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.256 24.054 10.610 1.00 12.57 H new ATOM 0 HB3 LEU A 32 25.938 23.707 9.033 1.00 12.57 H new ATOM 0 HG LEU A 32 23.345 22.340 9.749 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.048 24.317 9.004 1.00 10.68 H new ATOM 0 HD12 LEU A 32 22.980 24.678 10.476 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.552 25.262 8.895 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.938 22.709 7.319 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.448 23.645 7.211 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.503 21.906 7.589 1.00 12.45 H new ATOM 528 N SER A 33 28.061 22.108 11.142 1.00 16.31 N ATOM 529 CA SER A 33 29.536 21.990 10.997 1.00 18.98 C ATOM 530 C SER A 33 29.890 20.522 10.738 1.00 18.49 C ATOM 531 O SER A 33 30.914 20.210 10.163 1.00 21.34 O ATOM 532 CB SER A 33 30.216 22.465 12.281 1.00 19.20 C ATOM 533 OG SER A 33 30.310 23.883 12.265 1.00 24.11 O ATOM 0 H SER A 33 27.733 22.384 12.068 1.00 16.31 H new ATOM 0 HA SER A 33 29.878 22.605 10.165 1.00 18.98 H new ATOM 0 HB2 SER A 33 29.647 22.136 13.151 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.209 22.024 12.365 1.00 19.20 H new ATOM 0 HG SER A 33 29.743 24.256 12.972 1.00 24.11 H new ATOM 539 N GLN A 34 29.046 19.619 11.169 1.00 20.00 N ATOM 540 CA GLN A 34 29.319 18.168 10.964 1.00 24.71 C ATOM 541 C GLN A 34 28.694 17.693 9.648 1.00 23.33 C ATOM 542 O GLN A 34 28.777 16.531 9.299 1.00 26.27 O ATOM 543 CB GLN A 34 28.715 17.377 12.126 1.00 28.15 C ATOM 544 CG GLN A 34 29.398 17.788 13.432 1.00 37.01 C ATOM 545 CD GLN A 34 30.857 17.331 13.411 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.158 16.202 13.744 1.00 44.07 O ATOM 547 NE2 GLN A 34 31.784 18.167 13.029 1.00 41.20 N ATOM 0 H GLN A 34 28.175 19.828 11.657 1.00 20.00 H new ATOM 0 HA GLN A 34 30.396 18.008 10.922 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.643 17.564 12.189 1.00 28.15 H new ATOM 0 HB3 GLN A 34 28.842 16.308 11.957 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.346 18.870 13.557 1.00 37.01 H new ATOM 0 HG3 GLN A 34 28.879 17.344 14.281 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.532 19.115 12.749 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.760 17.872 13.010 1.00 41.20 H new ATOM 556 N LEU A 35 28.068 18.573 8.910 1.00 19.63 N ATOM 557 CA LEU A 35 27.444 18.152 7.624 1.00 15.93 C ATOM 558 C LEU A 35 28.469 18.317 6.487 1.00 13.36 C ATOM 559 O LEU A 35 29.030 19.383 6.327 1.00 16.12 O ATOM 560 CB LEU A 35 26.220 19.038 7.342 1.00 13.69 C ATOM 561 CG LEU A 35 24.987 18.519 8.105 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.778 19.413 7.795 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.670 17.077 7.679 1.00 16.28 C ATOM 0 H LEU A 35 27.963 19.561 9.142 1.00 19.63 H new ATOM 0 HA LEU A 35 27.133 17.109 7.688 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.432 20.065 7.639 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.013 19.051 6.272 1.00 13.69 H new ATOM 0 HG LEU A 35 25.199 18.540 9.174 1.00 11.57 H new ATOM 0 HD11 LEU A 35 22.906 19.045 8.335 1.00 11.03 H new ATOM 0 HD12 LEU A 35 23.993 20.436 8.105 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.576 19.394 6.724 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.797 16.720 8.225 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.465 17.050 6.609 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.523 16.436 7.901 1.00 16.28 H new ATOM 575 N PRO A 36 28.691 17.263 5.727 1.00 16.38 N ATOM 576 CA PRO A 36 29.650 17.301 4.608 1.00 17.59 C ATOM 577 C PRO A 36 29.124 18.227 3.511 1.00 19.11 C ATOM 578 O PRO A 36 28.777 17.799 2.427 1.00 21.54 O ATOM 579 CB PRO A 36 29.727 15.853 4.106 1.00 16.71 C ATOM 580 CG PRO A 36 28.575 15.077 4.782 1.00 16.59 C ATOM 581 CD PRO A 36 28.022 15.960 5.909 1.00 15.74 C ATOM 0 HA PRO A 36 30.629 17.678 4.904 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.632 15.816 3.021 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.690 15.409 4.357 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.793 14.844 4.059 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.934 14.128 5.180 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.939 16.058 5.840 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.242 15.536 6.889 1.00 15.74 H new ATOM 589 N ILE A 37 29.065 19.491 3.788 1.00 0.00 N ATOM 590 CA ILE A 37 28.568 20.458 2.774 1.00 0.00 C ATOM 591 C ILE A 37 29.695 20.764 1.787 1.00 0.00 C ATOM 592 O ILE A 37 30.861 20.704 2.125 1.00 0.00 O ATOM 593 CB ILE A 37 28.131 21.751 3.468 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.884 21.472 4.330 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.829 22.817 2.407 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.602 21.672 3.510 1.00 0.00 C ATOM 0 H ILE A 37 29.341 19.903 4.679 1.00 0.00 H new ATOM 0 HA ILE A 37 27.717 20.031 2.244 1.00 0.00 H new ATOM 0 HB ILE A 37 28.928 22.117 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.921 20.452 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.877 22.137 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.517 23.740 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.725 23.005 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 37 27.030 22.465 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.734 21.470 4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.558 22.699 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.603 20.989 2.661 1.00 0.00 H new ATOM 608 N LYS A 38 29.358 21.078 0.568 1.00 12.68 N ATOM 609 CA LYS A 38 30.405 21.373 -0.445 1.00 12.78 C ATOM 610 C LYS A 38 31.357 22.454 0.074 1.00 14.66 C ATOM 611 O LYS A 38 31.336 22.809 1.235 1.00 13.94 O ATOM 612 CB LYS A 38 29.739 21.848 -1.736 1.00 11.68 C ATOM 613 CG LYS A 38 28.782 20.767 -2.249 1.00 12.28 C ATOM 614 CD LYS A 38 28.731 20.819 -3.779 1.00 13.74 C ATOM 615 CE LYS A 38 27.671 19.847 -4.296 1.00 20.88 C ATOM 616 NZ LYS A 38 28.195 18.453 -4.226 1.00 29.41 N ATOM 0 H LYS A 38 28.398 21.143 0.230 1.00 12.68 H new ATOM 0 HA LYS A 38 30.979 20.467 -0.640 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.194 22.775 -1.556 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.496 22.065 -2.489 1.00 11.68 H new ATOM 0 HG2 LYS A 38 29.116 19.783 -1.918 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.785 20.921 -1.835 1.00 12.28 H new ATOM 0 HD2 LYS A 38 28.501 21.832 -4.110 1.00 13.74 H new ATOM 0 HD3 LYS A 38 29.706 20.562 -4.193 1.00 13.74 H new ATOM 0 HE2 LYS A 38 26.762 19.935 -3.702 1.00 20.88 H new ATOM 0 HE3 LYS A 38 27.405 20.095 -5.324 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 28.081 17.992 -5.152 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 29.203 18.473 -3.971 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 27.667 17.919 -3.506 1.00 29.41 H new ATOM 630 N GLN A 39 32.202 22.961 -0.784 1.00 0.00 N ATOM 631 CA GLN A 39 33.183 24.006 -0.370 1.00 0.00 C ATOM 632 C GLN A 39 32.490 25.166 0.356 1.00 0.00 C ATOM 633 O GLN A 39 31.776 24.976 1.320 1.00 0.00 O ATOM 634 CB GLN A 39 33.907 24.534 -1.612 1.00 0.00 C ATOM 635 CG GLN A 39 34.685 23.392 -2.269 1.00 0.00 C ATOM 636 CD GLN A 39 35.903 23.044 -1.410 1.00 0.00 C ATOM 637 OE1 GLN A 39 36.878 23.769 -1.395 1.00 0.00 O ATOM 638 NE2 GLN A 39 35.888 21.956 -0.689 1.00 0.00 N ATOM 0 H GLN A 39 32.255 22.692 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 39 33.897 23.557 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 39 33.187 24.951 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.587 25.340 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 39 34.044 22.518 -2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 39 35.004 23.683 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.070 21.347 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.695 21.715 -0.113 1.00 0.00 H new ATOM 647 N GLY A 40 32.721 26.373 -0.087 1.00 11.96 N ATOM 648 CA GLY A 40 32.105 27.551 0.585 1.00 8.67 C ATOM 649 C GLY A 40 30.599 27.572 0.347 1.00 10.51 C ATOM 650 O GLY A 40 30.045 28.561 -0.095 1.00 15.27 O ATOM 0 H GLY A 40 33.312 26.593 -0.888 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.310 27.516 1.655 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.552 28.469 0.205 1.00 8.67 H new ATOM 654 N LEU A 41 29.931 26.497 0.645 1.00 8.78 N ATOM 655 CA LEU A 41 28.450 26.462 0.449 1.00 6.78 C ATOM 656 C LEU A 41 27.766 26.671 1.799 1.00 7.45 C ATOM 657 O LEU A 41 26.631 27.100 1.875 1.00 2.18 O ATOM 658 CB LEU A 41 28.034 25.103 -0.133 1.00 6.98 C ATOM 659 CG LEU A 41 27.195 25.298 -1.405 1.00 7.77 C ATOM 660 CD1 LEU A 41 28.118 25.510 -2.607 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.331 24.053 -1.638 1.00 6.68 C ATOM 0 H LEU A 41 30.341 25.640 1.016 1.00 8.78 H new ATOM 0 HA LEU A 41 28.154 27.250 -0.243 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.921 24.512 -0.362 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.460 24.544 0.606 1.00 6.98 H new ATOM 0 HG LEU A 41 26.555 26.172 -1.285 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.518 25.648 -3.507 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.733 26.395 -2.442 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.761 24.639 -2.730 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.734 24.188 -2.540 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.974 23.181 -1.755 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.670 23.904 -0.784 1.00 6.68 H new ATOM 673 N LEU A 42 28.456 26.374 2.862 1.00 7.13 N ATOM 674 CA LEU A 42 27.868 26.553 4.217 1.00 6.20 C ATOM 675 C LEU A 42 28.447 27.823 4.834 1.00 5.03 C ATOM 676 O LEU A 42 29.642 28.041 4.813 1.00 5.38 O ATOM 677 CB LEU A 42 28.230 25.348 5.088 1.00 3.82 C ATOM 678 CG LEU A 42 27.721 25.562 6.518 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.202 25.756 6.505 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.071 24.337 7.370 1.00 2.48 C ATOM 0 H LEU A 42 29.410 26.012 2.851 1.00 7.13 H new ATOM 0 HA LEU A 42 26.783 26.634 4.150 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.792 24.442 4.669 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.311 25.206 5.095 1.00 3.82 H new ATOM 0 HG LEU A 42 28.193 26.450 6.939 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.846 25.908 7.524 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.952 26.627 5.900 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.726 24.871 6.082 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.710 24.486 8.388 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.600 23.451 6.944 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.152 24.201 7.385 1.00 2.48 H new ATOM 692 N GLU A 43 27.614 28.667 5.375 1.00 5.92 N ATOM 693 CA GLU A 43 28.127 29.925 5.982 1.00 7.54 C ATOM 694 C GLU A 43 27.348 30.247 7.257 1.00 6.00 C ATOM 695 O GLU A 43 26.376 29.599 7.591 1.00 4.97 O ATOM 696 CB GLU A 43 27.961 31.070 4.977 1.00 8.77 C ATOM 697 CG GLU A 43 28.503 32.372 5.575 1.00 16.17 C ATOM 698 CD GLU A 43 28.795 33.367 4.450 1.00 21.65 C ATOM 699 OE1 GLU A 43 27.853 33.968 3.961 1.00 19.19 O ATOM 700 OE2 GLU A 43 29.953 33.508 4.097 1.00 22.03 O ATOM 0 H GLU A 43 26.603 28.540 5.423 1.00 5.92 H new ATOM 0 HA GLU A 43 29.181 29.802 6.233 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.491 30.835 4.054 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.909 31.189 4.718 1.00 8.77 H new ATOM 0 HG2 GLU A 43 27.778 32.795 6.270 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.411 32.173 6.144 1.00 16.17 H new ATOM 707 N PHE A 44 27.773 31.258 7.960 1.00 7.78 N ATOM 708 CA PHE A 44 27.081 31.668 9.211 1.00 9.60 C ATOM 709 C PHE A 44 26.946 33.192 9.186 1.00 6.71 C ATOM 710 O PHE A 44 27.919 33.913 9.269 1.00 6.85 O ATOM 711 CB PHE A 44 27.911 31.217 10.418 1.00 12.09 C ATOM 712 CG PHE A 44 28.288 29.762 10.243 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.362 28.755 10.546 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.561 29.420 9.768 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.710 27.408 10.377 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.909 28.073 9.601 1.00 16.33 C ATOM 717 CZ PHE A 44 28.983 27.068 9.904 1.00 10.85 C ATOM 0 H PHE A 44 28.584 31.826 7.716 1.00 7.78 H new ATOM 0 HA PHE A 44 26.095 31.210 9.286 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.808 31.830 10.508 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.341 31.350 11.337 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.380 29.017 10.910 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.275 30.195 9.530 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.996 26.632 10.612 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.892 27.810 9.238 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.251 26.030 9.773 1.00 10.85 H new ATOM 727 N VAL A 45 25.747 33.686 9.023 1.00 6.10 N ATOM 728 CA VAL A 45 25.548 35.164 8.934 1.00 6.58 C ATOM 729 C VAL A 45 25.220 35.760 10.307 1.00 6.12 C ATOM 730 O VAL A 45 24.111 35.664 10.791 1.00 5.14 O ATOM 731 CB VAL A 45 24.390 35.444 7.969 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.007 36.924 8.034 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.819 35.093 6.543 1.00 2.33 C ATOM 0 H VAL A 45 24.895 33.130 8.947 1.00 6.10 H new ATOM 0 HA VAL A 45 26.469 35.624 8.575 1.00 6.58 H new ATOM 0 HB VAL A 45 23.531 34.837 8.254 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.184 37.117 7.346 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.699 37.176 9.049 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.865 37.535 7.753 1.00 2.00 H new ATOM 0 HG21 VAL A 45 23.996 35.292 5.856 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.680 35.699 6.263 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.086 34.038 6.493 1.00 2.33 H new ATOM 743 N ASP A 46 26.177 36.400 10.927 1.00 6.79 N ATOM 744 CA ASP A 46 25.923 37.030 12.250 1.00 6.49 C ATOM 745 C ASP A 46 25.235 38.379 12.028 1.00 9.11 C ATOM 746 O ASP A 46 25.866 39.355 11.674 1.00 7.52 O ATOM 747 CB ASP A 46 27.253 37.243 12.975 1.00 7.84 C ATOM 748 CG ASP A 46 28.030 35.926 13.015 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.581 34.979 12.392 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.061 35.888 13.666 1.00 10.50 O ATOM 0 H ASP A 46 27.126 36.512 10.570 1.00 6.79 H new ATOM 0 HA ASP A 46 25.285 36.386 12.855 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.839 38.008 12.465 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.073 37.602 13.988 1.00 7.84 H new ATOM 755 N ILE A 47 23.945 38.442 12.215 1.00 8.21 N ATOM 756 CA ILE A 47 23.224 39.730 11.994 1.00 8.33 C ATOM 757 C ILE A 47 23.718 40.789 12.981 1.00 10.92 C ATOM 758 O ILE A 47 23.285 41.924 12.950 1.00 9.40 O ATOM 759 CB ILE A 47 21.719 39.520 12.172 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.435 38.921 13.551 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.208 38.566 11.092 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.927 38.943 13.811 1.00 7.93 C ATOM 0 H ILE A 47 23.360 37.661 12.510 1.00 8.21 H new ATOM 0 HA ILE A 47 23.422 40.074 10.979 1.00 8.33 H new ATOM 0 HB ILE A 47 21.212 40.481 12.086 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.809 37.898 13.600 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.957 39.489 14.321 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.136 38.415 11.217 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.402 38.993 10.108 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.722 37.609 11.180 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.721 38.517 14.793 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.567 39.971 13.779 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.417 38.356 13.047 1.00 7.93 H new ATOM 774 N THR A 48 24.618 40.436 13.859 1.00 13.41 N ATOM 775 CA THR A 48 25.127 41.434 14.845 1.00 16.67 C ATOM 776 C THR A 48 26.434 42.037 14.327 1.00 16.58 C ATOM 777 O THR A 48 26.758 43.175 14.608 1.00 18.03 O ATOM 778 CB THR A 48 25.385 40.743 16.188 1.00 15.80 C ATOM 779 OG1 THR A 48 26.603 40.016 16.119 1.00 21.06 O ATOM 780 CG2 THR A 48 24.234 39.786 16.503 1.00 21.72 C ATOM 0 H THR A 48 25.022 39.503 13.937 1.00 13.41 H new ATOM 0 HA THR A 48 24.386 42.222 14.978 1.00 16.67 H new ATOM 0 HB THR A 48 25.454 41.494 16.975 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.770 39.575 16.978 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.420 39.296 17.459 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.300 40.346 16.558 1.00 21.72 H new ATOM 0 HG23 THR A 48 24.161 39.034 15.717 1.00 21.72 H new ATOM 788 N ALA A 49 27.185 41.290 13.567 1.00 15.36 N ATOM 789 CA ALA A 49 28.465 41.828 13.028 1.00 18.08 C ATOM 790 C ALA A 49 28.166 42.757 11.850 1.00 20.63 C ATOM 791 O ALA A 49 29.026 43.048 11.042 1.00 22.45 O ATOM 792 CB ALA A 49 29.350 40.673 12.555 1.00 18.76 C ATOM 0 H ALA A 49 26.968 40.331 13.296 1.00 15.36 H new ATOM 0 HA ALA A 49 28.984 42.382 13.810 1.00 18.08 H new ATOM 0 HB1 ALA A 49 30.286 41.069 12.161 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.561 40.010 13.394 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.834 40.116 11.773 1.00 18.76 H new ATOM 798 N THR A 50 26.949 43.218 11.741 1.00 22.30 N ATOM 799 CA THR A 50 26.589 44.121 10.607 1.00 25.27 C ATOM 800 C THR A 50 25.652 45.228 11.099 1.00 24.34 C ATOM 801 O THR A 50 25.421 46.202 10.413 1.00 25.49 O ATOM 802 CB THR A 50 25.878 43.302 9.522 1.00 22.85 C ATOM 803 OG1 THR A 50 25.785 44.070 8.330 1.00 23.28 O ATOM 804 CG2 THR A 50 24.472 42.923 9.997 1.00 25.63 C ATOM 0 H THR A 50 26.188 43.009 12.387 1.00 22.30 H new ATOM 0 HA THR A 50 27.495 44.572 10.202 1.00 25.27 H new ATOM 0 HB THR A 50 26.449 42.394 9.326 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.332 43.545 7.637 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.971 42.341 9.223 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.544 42.329 10.908 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.900 43.828 10.198 1.00 25.63 H new ATOM 812 N ASN A 51 25.104 45.078 12.273 1.00 0.00 N ATOM 813 CA ASN A 51 24.169 46.110 12.807 1.00 0.00 C ATOM 814 C ASN A 51 22.806 45.908 12.139 1.00 0.00 C ATOM 815 O ASN A 51 22.537 44.859 11.588 1.00 0.00 O ATOM 816 CB ASN A 51 24.729 47.525 12.547 1.00 0.00 C ATOM 817 CG ASN A 51 24.029 48.198 11.360 1.00 0.00 C ATOM 818 OD1 ASN A 51 23.601 47.541 10.433 1.00 0.00 O ATOM 819 ND2 ASN A 51 23.899 49.498 11.353 1.00 0.00 N ATOM 0 H ASN A 51 25.264 44.281 12.889 1.00 0.00 H new ATOM 0 HA ASN A 51 24.057 46.006 13.886 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.602 48.137 13.440 1.00 0.00 H new ATOM 0 HB3 ASN A 51 25.800 47.463 12.352 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.438 49.960 10.569 1.00 0.00 H new ATOM 0 HD22 ASN A 51 24.258 50.051 12.131 1.00 0.00 H new ATOM 826 N HIS A 52 21.941 46.884 12.172 1.00 0.00 N ATOM 827 CA HIS A 52 20.612 46.695 11.521 1.00 0.00 C ATOM 828 C HIS A 52 19.977 45.419 12.080 1.00 0.00 C ATOM 829 O HIS A 52 19.013 44.905 11.553 1.00 0.00 O ATOM 830 CB HIS A 52 20.811 46.547 10.005 1.00 0.00 C ATOM 831 CG HIS A 52 20.636 47.880 9.322 1.00 0.00 C ATOM 832 ND1 HIS A 52 20.300 47.980 7.981 1.00 0.00 N ATOM 833 CD2 HIS A 52 20.751 49.171 9.778 1.00 0.00 C ATOM 834 CE1 HIS A 52 20.225 49.290 7.678 1.00 0.00 C ATOM 835 NE2 HIS A 52 20.491 50.059 8.738 1.00 0.00 N ATOM 0 H HIS A 52 22.092 47.791 12.614 1.00 0.00 H new ATOM 0 HA HIS A 52 19.967 47.551 11.719 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.806 46.153 9.799 1.00 0.00 H new ATOM 0 HB3 HIS A 52 20.095 45.829 9.606 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.004 49.454 10.789 1.00 0.00 H new ATOM 0 HE1 HIS A 52 19.980 49.672 6.698 1.00 0.00 H new ATOM 0 HE2 HIS A 52 20.501 51.078 8.777 1.00 0.00 H new ATOM 843 N THR A 53 20.539 44.900 13.137 1.00 18.27 N ATOM 844 CA THR A 53 20.017 43.642 13.750 1.00 16.01 C ATOM 845 C THR A 53 18.484 43.578 13.660 1.00 16.57 C ATOM 846 O THR A 53 17.933 42.747 12.968 1.00 18.87 O ATOM 847 CB THR A 53 20.451 43.596 15.225 1.00 15.02 C ATOM 848 OG1 THR A 53 21.490 44.542 15.438 1.00 13.32 O ATOM 849 CG2 THR A 53 20.959 42.195 15.581 1.00 9.59 C ATOM 0 H THR A 53 21.350 45.299 13.610 1.00 18.27 H new ATOM 0 HA THR A 53 20.422 42.788 13.207 1.00 16.01 H new ATOM 0 HB THR A 53 19.596 43.836 15.857 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.768 44.517 16.377 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.264 42.173 16.627 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.163 41.468 15.420 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.812 41.946 14.950 1.00 9.59 H new ATOM 857 N ASN A 54 17.797 44.431 14.369 1.00 13.94 N ATOM 858 CA ASN A 54 16.302 44.400 14.345 1.00 18.93 C ATOM 859 C ASN A 54 15.773 44.480 12.911 1.00 16.34 C ATOM 860 O ASN A 54 14.732 43.938 12.603 1.00 15.61 O ATOM 861 CB ASN A 54 15.760 45.583 15.150 1.00 24.12 C ATOM 862 CG ASN A 54 16.116 45.404 16.626 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.800 44.357 16.994 1.00 45.21 O flip ATOM 864 ND2 ASN A 54 15.768 46.224 17.452 1.00 37.58 N flip ATOM 0 H ASN A 54 18.205 45.151 14.966 1.00 13.94 H new ATOM 0 HA ASN A 54 15.969 43.460 14.784 1.00 18.93 H new ATOM 0 HB2 ASN A 54 16.181 46.515 14.774 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.679 45.652 15.032 1.00 24.12 H new ATOM 0 HD21 ASN A 54 15.233 47.043 17.164 1.00 37.58 H new ATOM 0 HD22 ASN A 54 16.011 46.093 18.434 1.00 37.58 H new ATOM 871 N GLU A 55 16.462 45.151 12.033 1.00 16.09 N ATOM 872 CA GLU A 55 15.962 45.254 10.631 1.00 15.04 C ATOM 873 C GLU A 55 15.963 43.871 9.970 1.00 15.56 C ATOM 874 O GLU A 55 15.002 43.481 9.338 1.00 18.95 O ATOM 875 CB GLU A 55 16.857 46.204 9.834 1.00 18.55 C ATOM 876 CG GLU A 55 16.969 47.540 10.572 1.00 23.55 C ATOM 877 CD GLU A 55 17.528 48.606 9.626 1.00 30.41 C ATOM 878 OE1 GLU A 55 17.872 48.257 8.508 1.00 33.02 O ATOM 879 OE2 GLU A 55 17.603 49.752 10.036 1.00 31.49 O ATOM 0 H GLU A 55 17.343 45.630 12.221 1.00 16.09 H new ATOM 0 HA GLU A 55 14.943 45.641 10.645 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.846 45.765 9.703 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.443 46.360 8.838 1.00 18.55 H new ATOM 0 HG2 GLU A 55 15.990 47.845 10.942 1.00 23.55 H new ATOM 0 HG3 GLU A 55 17.619 47.434 11.440 1.00 23.55 H new ATOM 886 N ILE A 56 17.029 43.125 10.102 1.00 9.56 N ATOM 887 CA ILE A 56 17.063 41.777 9.467 1.00 8.91 C ATOM 888 C ILE A 56 16.015 40.874 10.129 1.00 7.70 C ATOM 889 O ILE A 56 15.185 40.294 9.460 1.00 9.84 O ATOM 890 CB ILE A 56 18.461 41.164 9.617 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.419 41.815 8.604 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.391 39.654 9.354 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.072 43.052 9.224 1.00 8.03 C ATOM 0 H ILE A 56 17.869 43.389 10.617 1.00 9.56 H new ATOM 0 HA ILE A 56 16.835 41.870 8.405 1.00 8.91 H new ATOM 0 HB ILE A 56 18.826 41.340 10.629 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.185 41.100 8.304 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.874 42.094 7.703 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.385 39.220 9.461 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.713 39.191 10.071 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.025 39.477 8.343 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.749 43.507 8.501 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.300 43.770 9.501 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.633 42.761 10.112 1.00 8.03 H new ATOM 905 N GLN A 57 16.030 40.753 11.432 1.00 7.49 N ATOM 906 CA GLN A 57 15.010 39.888 12.093 1.00 6.88 C ATOM 907 C GLN A 57 13.636 40.404 11.698 1.00 9.50 C ATOM 908 O GLN A 57 12.746 39.652 11.358 1.00 11.03 O ATOM 909 CB GLN A 57 15.150 39.970 13.613 1.00 11.02 C ATOM 910 CG GLN A 57 16.631 40.064 13.987 1.00 12.13 C ATOM 911 CD GLN A 57 16.888 39.302 15.291 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.978 39.963 16.414 1.00 17.49 O flip ATOM 913 NE2 GLN A 57 17.009 38.093 15.288 1.00 17.84 N flip ATOM 0 H GLN A 57 16.694 41.209 12.058 1.00 7.49 H new ATOM 0 HA GLN A 57 15.147 38.852 11.783 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.613 40.840 13.992 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.702 39.092 14.078 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.244 39.650 13.187 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.920 41.108 14.103 1.00 12.13 H new ATOM 0 HE21 GLN A 57 16.939 37.576 14.412 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.181 37.595 16.162 1.00 17.84 H new ATOM 922 N ASP A 58 13.470 41.695 11.718 1.00 13.48 N ATOM 923 CA ASP A 58 12.168 42.275 11.317 1.00 13.94 C ATOM 924 C ASP A 58 11.849 41.747 9.925 1.00 13.32 C ATOM 925 O ASP A 58 10.710 41.500 9.579 1.00 14.28 O ATOM 926 CB ASP A 58 12.285 43.800 11.280 1.00 12.80 C ATOM 927 CG ASP A 58 12.163 44.364 12.698 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.408 43.804 13.474 1.00 15.13 O ATOM 929 OD2 ASP A 58 12.828 45.347 12.983 1.00 18.84 O ATOM 0 H ASP A 58 14.182 42.371 11.995 1.00 13.48 H new ATOM 0 HA ASP A 58 11.381 42.003 12.021 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.241 44.090 10.844 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.505 44.218 10.644 1.00 12.80 H new ATOM 934 N TYR A 59 12.864 41.552 9.130 1.00 12.69 N ATOM 935 CA TYR A 59 12.643 41.012 7.761 1.00 10.10 C ATOM 936 C TYR A 59 12.429 39.498 7.847 1.00 7.75 C ATOM 937 O TYR A 59 11.488 38.965 7.294 1.00 5.81 O ATOM 938 CB TYR A 59 13.854 41.308 6.876 1.00 12.40 C ATOM 939 CG TYR A 59 13.514 40.951 5.449 1.00 12.76 C ATOM 940 CD1 TYR A 59 12.810 41.858 4.650 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.894 39.709 4.930 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.487 41.524 3.329 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.572 39.375 3.608 1.00 10.94 C ATOM 944 CZ TYR A 59 12.869 40.282 2.809 1.00 9.37 C ATOM 945 OH TYR A 59 12.550 39.952 1.507 1.00 12.99 O ATOM 0 H TYR A 59 13.837 41.743 9.370 1.00 12.69 H new ATOM 0 HA TYR A 59 11.764 41.486 7.325 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.125 42.361 6.947 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.717 40.734 7.213 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.515 42.816 5.052 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.435 39.008 5.548 1.00 6.81 H new ATOM 0 HE1 TYR A 59 11.944 42.224 2.712 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.867 38.417 3.206 1.00 10.94 H new ATOM 0 HH TYR A 59 13.373 39.843 0.986 1.00 12.99 H new ATOM 955 N LEU A 60 13.290 38.800 8.544 1.00 10.71 N ATOM 956 CA LEU A 60 13.119 37.324 8.664 1.00 11.04 C ATOM 957 C LEU A 60 11.704 37.041 9.158 1.00 10.32 C ATOM 958 O LEU A 60 11.093 36.051 8.808 1.00 14.61 O ATOM 959 CB LEU A 60 14.128 36.756 9.671 1.00 7.24 C ATOM 960 CG LEU A 60 15.561 37.049 9.211 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.546 36.525 10.260 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.832 36.359 7.871 1.00 7.23 C ATOM 0 H LEU A 60 14.098 39.187 9.031 1.00 10.71 H new ATOM 0 HA LEU A 60 13.287 36.856 7.694 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.957 37.195 10.654 1.00 7.24 H new ATOM 0 HB3 LEU A 60 13.984 35.680 9.773 1.00 7.24 H new ATOM 0 HG LEU A 60 15.686 38.125 9.091 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.566 36.732 9.936 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.360 37.020 11.213 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.414 35.450 10.378 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.852 36.572 7.552 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.705 35.282 7.984 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.132 36.730 7.122 1.00 7.23 H new ATOM 974 N GLN A 61 11.182 37.915 9.966 1.00 10.78 N ATOM 975 CA GLN A 61 9.804 37.725 10.491 1.00 11.72 C ATOM 976 C GLN A 61 8.817 37.667 9.320 1.00 14.05 C ATOM 977 O GLN A 61 8.037 36.746 9.199 1.00 14.24 O ATOM 978 CB GLN A 61 9.468 38.913 11.402 1.00 17.47 C ATOM 979 CG GLN A 61 7.974 38.930 11.750 1.00 25.06 C ATOM 980 CD GLN A 61 7.679 37.925 12.866 1.00 31.26 C ATOM 981 OE1 GLN A 61 8.558 37.736 13.812 1.00 40.45 O flip ATOM 982 NE2 GLN A 61 6.629 37.313 12.882 1.00 30.05 N flip ATOM 0 H GLN A 61 11.654 38.760 10.288 1.00 10.78 H new ATOM 0 HA GLN A 61 9.735 36.795 11.055 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.058 38.853 12.317 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.741 39.845 10.907 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.678 39.931 12.064 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.385 38.686 10.866 1.00 25.06 H new ATOM 0 HE21 GLN A 61 5.942 37.460 12.143 1.00 30.05 H new ATOM 0 HE22 GLN A 61 6.435 36.652 13.634 1.00 30.05 H new ATOM 991 N GLN A 62 8.832 38.652 8.467 1.00 15.71 N ATOM 992 CA GLN A 62 7.877 38.663 7.320 1.00 18.54 C ATOM 993 C GLN A 62 8.186 37.529 6.336 1.00 19.36 C ATOM 994 O GLN A 62 7.303 36.812 5.910 1.00 19.52 O ATOM 995 CB GLN A 62 7.985 40.002 6.590 1.00 25.59 C ATOM 996 CG GLN A 62 6.798 40.159 5.638 1.00 34.08 C ATOM 997 CD GLN A 62 7.078 41.290 4.647 1.00 38.28 C ATOM 998 OE1 GLN A 62 7.925 42.127 4.885 1.00 41.81 O ATOM 999 NE2 GLN A 62 6.394 41.349 3.537 1.00 36.81 N ATOM 0 H GLN A 62 9.464 39.451 8.513 1.00 15.71 H new ATOM 0 HA GLN A 62 6.868 38.521 7.708 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.999 40.821 7.309 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.921 40.051 6.033 1.00 25.59 H new ATOM 0 HG2 GLN A 62 6.624 39.227 5.101 1.00 34.08 H new ATOM 0 HG3 GLN A 62 5.892 40.374 6.204 1.00 34.08 H new ATOM 0 HE21 GLN A 62 5.683 40.645 3.338 1.00 36.81 H new ATOM 0 HE22 GLN A 62 6.571 42.099 2.868 1.00 36.81 H new ATOM 1008 N LEU A 63 9.422 37.374 5.952 1.00 17.09 N ATOM 1009 CA LEU A 63 9.766 36.299 4.973 1.00 16.00 C ATOM 1010 C LEU A 63 9.500 34.920 5.575 1.00 11.34 C ATOM 1011 O LEU A 63 9.039 34.019 4.903 1.00 10.68 O ATOM 1012 CB LEU A 63 11.244 36.406 4.580 1.00 19.91 C ATOM 1013 CG LEU A 63 11.558 35.391 3.467 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.481 36.021 2.419 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.247 34.157 4.061 1.00 19.51 C ATOM 0 H LEU A 63 10.208 37.941 6.271 1.00 17.09 H new ATOM 0 HA LEU A 63 9.142 36.425 4.089 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.467 37.417 4.238 1.00 19.91 H new ATOM 0 HB3 LEU A 63 11.876 36.216 5.448 1.00 19.91 H new ATOM 0 HG LEU A 63 10.620 35.097 2.995 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.695 35.292 1.637 1.00 21.25 H new ATOM 0 HD12 LEU A 63 11.993 36.891 1.980 1.00 21.25 H new ATOM 0 HD13 LEU A 63 13.413 36.329 2.893 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.465 33.444 3.266 1.00 19.51 H new ATOM 0 HD22 LEU A 63 13.177 34.457 4.545 1.00 19.51 H new ATOM 0 HD23 LEU A 63 11.590 33.691 4.795 1.00 19.51 H new ATOM 1027 N THR A 64 9.795 34.745 6.829 1.00 10.04 N ATOM 1028 CA THR A 64 9.573 33.414 7.474 1.00 8.87 C ATOM 1029 C THR A 64 8.364 33.482 8.404 1.00 10.75 C ATOM 1030 O THR A 64 7.352 32.846 8.178 1.00 11.38 O ATOM 1031 CB THR A 64 10.802 33.026 8.303 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.794 33.749 9.527 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.083 33.347 7.535 1.00 6.96 C ATOM 0 H THR A 64 10.181 35.464 7.441 1.00 10.04 H new ATOM 0 HA THR A 64 9.401 32.674 6.693 1.00 8.87 H new ATOM 0 HB THR A 64 10.768 31.955 8.504 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.273 34.596 9.410 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.948 33.066 8.136 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.095 32.789 6.599 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.121 34.415 7.321 1.00 6.96 H new ATOM 1041 N GLY A 65 8.471 34.234 9.460 1.00 10.19 N ATOM 1042 CA GLY A 65 7.345 34.339 10.427 1.00 13.28 C ATOM 1043 C GLY A 65 7.919 34.438 11.837 1.00 14.66 C ATOM 1044 O GLY A 65 7.465 35.213 12.652 1.00 14.79 O ATOM 0 H GLY A 65 9.296 34.785 9.697 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.736 35.215 10.204 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.694 33.469 10.344 1.00 13.28 H new ATOM 1048 N ALA A 66 8.922 33.654 12.127 1.00 12.02 N ATOM 1049 CA ALA A 66 9.540 33.695 13.482 1.00 9.85 C ATOM 1050 C ALA A 66 10.796 34.561 13.452 1.00 14.04 C ATOM 1051 O ALA A 66 11.609 34.470 12.553 1.00 17.81 O ATOM 1052 CB ALA A 66 9.912 32.277 13.917 1.00 13.74 C ATOM 0 H ALA A 66 9.341 32.985 11.481 1.00 12.02 H new ATOM 0 HA ALA A 66 8.826 34.119 14.188 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.364 32.307 14.908 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.015 31.658 13.946 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.622 31.853 13.207 1.00 13.74 H new ATOM 1058 N ARG A 67 10.964 35.388 14.442 1.00 15.81 N ATOM 1059 CA ARG A 67 12.166 36.257 14.511 1.00 16.07 C ATOM 1060 C ARG A 67 13.137 35.654 15.526 1.00 14.37 C ATOM 1061 O ARG A 67 13.938 36.342 16.129 1.00 14.43 O ATOM 1062 CB ARG A 67 11.746 37.657 14.967 1.00 15.97 C ATOM 1063 CG ARG A 67 10.901 37.562 16.252 1.00 17.12 C ATOM 1064 CD ARG A 67 11.652 38.198 17.426 1.00 22.31 C ATOM 1065 NE ARG A 67 11.937 39.629 17.122 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.277 40.445 18.083 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.356 40.010 19.311 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.540 41.695 17.817 1.00 21.50 N ATOM 0 H ARG A 67 10.310 35.500 15.217 1.00 15.81 H new ATOM 0 HA ARG A 67 12.645 36.327 13.534 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.629 38.270 15.147 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.173 38.148 14.181 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.946 38.066 16.106 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.680 36.518 16.475 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.057 38.121 18.336 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.584 37.662 17.608 1.00 22.31 H new ATOM 0 HE ARG A 67 11.866 39.971 16.164 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.152 39.033 19.520 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.622 40.647 20.062 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.480 42.036 16.857 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.805 42.331 18.569 1.00 21.50 H new ATOM 1082 N THR A 68 13.048 34.370 15.731 1.00 13.52 N ATOM 1083 CA THR A 68 13.935 33.697 16.719 1.00 14.97 C ATOM 1084 C THR A 68 15.297 33.378 16.084 1.00 12.85 C ATOM 1085 O THR A 68 15.477 33.473 14.885 1.00 10.80 O ATOM 1086 CB THR A 68 13.258 32.395 17.173 1.00 13.06 C ATOM 1087 OG1 THR A 68 11.977 32.300 16.564 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.103 32.388 18.697 1.00 14.06 C ATOM 0 H THR A 68 12.393 33.753 15.252 1.00 13.52 H new ATOM 0 HA THR A 68 14.099 34.355 17.572 1.00 14.97 H new ATOM 0 HB THR A 68 13.873 31.545 16.876 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.540 31.470 16.848 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.622 31.461 19.010 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.086 32.462 19.163 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.491 33.236 19.004 1.00 14.06 H new ATOM 1096 N VAL A 69 16.249 32.980 16.891 1.00 8.20 N ATOM 1097 CA VAL A 69 17.605 32.624 16.368 1.00 5.92 C ATOM 1098 C VAL A 69 17.816 31.119 16.588 1.00 5.25 C ATOM 1099 O VAL A 69 17.471 30.622 17.634 1.00 5.78 O ATOM 1100 CB VAL A 69 18.674 33.389 17.167 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.032 33.288 16.475 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.287 34.860 17.279 1.00 4.08 C ATOM 0 H VAL A 69 16.143 32.885 17.901 1.00 8.20 H new ATOM 0 HA VAL A 69 17.682 32.880 15.311 1.00 5.92 H new ATOM 0 HB VAL A 69 18.740 32.946 18.161 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.777 33.835 17.053 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.326 32.241 16.402 1.00 2.07 H new ATOM 0 HG13 VAL A 69 19.964 33.716 15.475 1.00 2.07 H new ATOM 0 HG21 VAL A 69 19.049 35.395 17.846 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.207 35.292 16.282 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.328 34.946 17.790 1.00 4.08 H new ATOM 1112 N PRO A 70 18.385 30.423 15.631 1.00 5.33 N ATOM 1113 CA PRO A 70 18.830 30.973 14.334 1.00 6.04 C ATOM 1114 C PRO A 70 17.678 31.014 13.325 1.00 7.79 C ATOM 1115 O PRO A 70 16.522 30.834 13.652 1.00 7.15 O ATOM 1116 CB PRO A 70 19.868 29.945 13.855 1.00 3.22 C ATOM 1117 CG PRO A 70 19.568 28.626 14.609 1.00 6.88 C ATOM 1118 CD PRO A 70 18.663 28.987 15.798 1.00 6.17 C ATOM 0 HA PRO A 70 19.209 31.991 14.427 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.799 29.799 12.777 1.00 3.22 H new ATOM 0 HB3 PRO A 70 20.880 30.290 14.066 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.075 27.909 13.952 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.491 28.160 14.954 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.744 28.402 15.788 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.158 28.787 16.748 1.00 6.17 H new ATOM 1126 N ARG A 71 18.030 31.209 12.089 1.00 6.15 N ATOM 1127 CA ARG A 71 17.047 31.229 10.977 1.00 7.10 C ATOM 1128 C ARG A 71 17.764 30.567 9.798 1.00 4.23 C ATOM 1129 O ARG A 71 18.513 31.198 9.079 1.00 6.47 O ATOM 1130 CB ARG A 71 16.669 32.682 10.641 1.00 10.23 C ATOM 1131 CG ARG A 71 15.227 32.746 10.097 1.00 15.67 C ATOM 1132 CD ARG A 71 14.226 33.005 11.236 1.00 20.29 C ATOM 1133 NE ARG A 71 13.797 31.711 11.835 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.234 31.692 13.012 1.00 19.78 C ATOM 1135 NH1 ARG A 71 13.041 32.807 13.661 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.862 30.557 13.541 1.00 23.53 N ATOM 0 H ARG A 71 18.995 31.361 11.794 1.00 6.15 H new ATOM 0 HA ARG A 71 16.123 30.708 11.227 1.00 7.10 H new ATOM 0 HB2 ARG A 71 16.757 33.304 11.532 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.362 33.084 9.902 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.149 33.537 9.351 1.00 15.67 H new ATOM 0 HG3 ARG A 71 14.981 31.810 9.596 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.684 33.635 11.999 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.359 33.545 10.855 1.00 20.29 H new ATOM 0 HE ARG A 71 13.943 30.840 11.325 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.330 33.694 13.248 1.00 22.60 H new ATOM 0 HH12 ARG A 71 12.601 32.792 14.581 1.00 22.60 H new ATOM 0 HH21 ARG A 71 13.012 29.685 13.034 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.422 30.543 14.461 1.00 23.53 H new ATOM 1150 N VAL A 72 17.597 29.282 9.642 1.00 4.55 N ATOM 1151 CA VAL A 72 18.331 28.550 8.565 1.00 6.53 C ATOM 1152 C VAL A 72 17.608 28.659 7.226 1.00 8.68 C ATOM 1153 O VAL A 72 16.418 28.896 7.162 1.00 6.48 O ATOM 1154 CB VAL A 72 18.441 27.080 8.964 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.173 26.304 7.866 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.222 26.972 10.278 1.00 3.35 C ATOM 0 H VAL A 72 16.982 28.704 10.215 1.00 4.55 H new ATOM 0 HA VAL A 72 19.320 28.994 8.450 1.00 6.53 H new ATOM 0 HB VAL A 72 17.444 26.660 9.096 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.251 25.255 8.152 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.618 26.385 6.931 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.172 26.719 7.732 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.304 25.924 10.568 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.220 27.390 10.144 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.699 27.525 11.059 1.00 3.35 H new ATOM 1166 N PHE A 73 18.336 28.499 6.148 1.00 5.39 N ATOM 1167 CA PHE A 73 17.711 28.602 4.802 1.00 6.90 C ATOM 1168 C PHE A 73 18.378 27.646 3.810 1.00 7.16 C ATOM 1169 O PHE A 73 19.319 28.014 3.135 1.00 14.07 O ATOM 1170 CB PHE A 73 17.889 30.021 4.268 1.00 6.44 C ATOM 1171 CG PHE A 73 16.974 30.973 4.994 1.00 9.57 C ATOM 1172 CD1 PHE A 73 15.677 31.193 4.518 1.00 12.42 C ATOM 1173 CD2 PHE A 73 17.429 31.651 6.130 1.00 3.78 C ATOM 1174 CE1 PHE A 73 14.833 32.089 5.180 1.00 11.45 C ATOM 1175 CE2 PHE A 73 16.585 32.550 6.790 1.00 6.98 C ATOM 1176 CZ PHE A 73 15.288 32.768 6.315 1.00 7.54 C ATOM 0 H PHE A 73 19.337 28.301 6.147 1.00 5.39 H new ATOM 0 HA PHE A 73 16.656 28.346 4.903 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.925 30.336 4.392 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.675 30.044 3.199 1.00 6.44 H new ATOM 0 HD1 PHE A 73 15.328 30.671 3.639 1.00 12.42 H new ATOM 0 HD2 PHE A 73 18.430 31.480 6.497 1.00 3.78 H new ATOM 0 HE1 PHE A 73 13.830 32.257 4.815 1.00 11.45 H new ATOM 0 HE2 PHE A 73 16.935 33.076 7.666 1.00 6.98 H new ATOM 0 HZ PHE A 73 14.636 33.462 6.825 1.00 7.54 H new ATOM 1186 N ILE A 74 17.879 26.450 3.658 1.00 5.91 N ATOM 1187 CA ILE A 74 18.488 25.550 2.640 1.00 7.08 C ATOM 1188 C ILE A 74 18.050 26.103 1.290 1.00 8.52 C ATOM 1189 O ILE A 74 16.892 26.022 0.931 1.00 6.64 O ATOM 1190 CB ILE A 74 17.970 24.119 2.802 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.962 23.740 4.286 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.874 23.157 2.023 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.337 24.010 4.899 1.00 9.34 C ATOM 0 H ILE A 74 17.094 26.064 4.182 1.00 5.91 H new ATOM 0 HA ILE A 74 19.573 25.516 2.741 1.00 7.08 H new ATOM 0 HB ILE A 74 16.954 24.053 2.412 1.00 6.37 H new ATOM 0 HG12 ILE A 74 17.200 24.314 4.813 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.704 22.687 4.400 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.505 22.138 2.138 1.00 4.80 H new ATOM 0 HG22 ILE A 74 18.869 23.428 0.967 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.891 23.221 2.409 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.324 23.738 5.955 1.00 9.34 H new ATOM 0 HD12 ILE A 74 20.090 23.416 4.380 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.578 25.068 4.800 1.00 9.34 H new ATOM 1205 N GLY A 75 18.929 26.731 0.564 1.00 9.27 N ATOM 1206 CA GLY A 75 18.485 27.344 -0.713 1.00 9.68 C ATOM 1207 C GLY A 75 17.463 28.413 -0.328 1.00 12.42 C ATOM 1208 O GLY A 75 17.510 28.940 0.766 1.00 11.15 O ATOM 0 H GLY A 75 19.916 26.845 0.794 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.326 27.783 -1.250 1.00 9.68 H new ATOM 0 HA3 GLY A 75 18.041 26.598 -1.372 1.00 9.68 H new ATOM 1212 N LYS A 76 16.527 28.731 -1.171 1.00 14.40 N ATOM 1213 CA LYS A 76 15.518 29.751 -0.767 1.00 16.68 C ATOM 1214 C LYS A 76 14.445 29.063 0.087 1.00 16.27 C ATOM 1215 O LYS A 76 13.463 29.665 0.475 1.00 14.00 O ATOM 1216 CB LYS A 76 14.873 30.371 -2.009 1.00 23.46 C ATOM 1217 CG LYS A 76 15.908 31.212 -2.768 1.00 30.10 C ATOM 1218 CD LYS A 76 15.197 32.328 -3.541 1.00 38.66 C ATOM 1219 CE LYS A 76 16.120 32.858 -4.638 1.00 42.17 C ATOM 1220 NZ LYS A 76 17.453 33.175 -4.053 1.00 44.86 N ATOM 0 H LYS A 76 16.414 28.340 -2.106 1.00 14.40 H new ATOM 0 HA LYS A 76 16.001 30.543 -0.195 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.483 29.586 -2.657 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.027 30.994 -1.718 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.626 31.641 -2.069 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.470 30.581 -3.456 1.00 30.10 H new ATOM 0 HD2 LYS A 76 14.274 31.950 -3.980 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.920 33.135 -2.863 1.00 38.66 H new ATOM 0 HE2 LYS A 76 16.225 32.116 -5.430 1.00 42.17 H new ATOM 0 HE3 LYS A 76 15.688 33.750 -5.092 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 18.142 33.323 -4.818 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 17.383 34.039 -3.478 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 17.766 32.385 -3.454 1.00 44.86 H new ATOM 1234 N ASP A 77 14.630 27.798 0.371 1.00 0.00 N ATOM 1235 CA ASP A 77 13.631 27.043 1.189 1.00 0.00 C ATOM 1236 C ASP A 77 13.962 27.147 2.683 1.00 0.00 C ATOM 1237 O ASP A 77 14.912 26.559 3.160 1.00 0.00 O ATOM 1238 CB ASP A 77 13.657 25.572 0.777 1.00 0.00 C ATOM 1239 CG ASP A 77 13.490 25.462 -0.740 1.00 0.00 C ATOM 1240 OD1 ASP A 77 12.408 25.757 -1.221 1.00 0.00 O ATOM 1241 OD2 ASP A 77 14.447 25.083 -1.395 1.00 0.00 O ATOM 0 H ASP A 77 15.437 27.252 0.069 1.00 0.00 H new ATOM 0 HA ASP A 77 12.643 27.471 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.597 25.114 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.858 25.028 1.282 1.00 0.00 H new ATOM 1246 N SER A 78 13.174 27.875 3.427 1.00 0.00 N ATOM 1247 CA SER A 78 13.428 27.997 4.892 1.00 0.00 C ATOM 1248 C SER A 78 13.017 26.696 5.591 1.00 0.00 C ATOM 1249 O SER A 78 12.026 26.087 5.241 1.00 0.00 O ATOM 1250 CB SER A 78 12.605 29.158 5.454 1.00 0.00 C ATOM 1251 OG SER A 78 13.062 29.470 6.763 1.00 0.00 O ATOM 0 H SER A 78 12.364 28.391 3.083 1.00 0.00 H new ATOM 0 HA SER A 78 14.488 28.183 5.064 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.697 30.030 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.549 28.891 5.480 1.00 0.00 H new ATOM 0 HG SER A 78 13.660 30.246 6.725 1.00 0.00 H new ATOM 1257 N ILE A 79 13.761 26.267 6.583 1.00 14.84 N ATOM 1258 CA ILE A 79 13.392 25.008 7.303 1.00 16.24 C ATOM 1259 C ILE A 79 12.941 25.348 8.725 1.00 13.64 C ATOM 1260 O ILE A 79 12.359 24.530 9.411 1.00 15.36 O ATOM 1261 CB ILE A 79 14.588 24.048 7.356 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.827 24.758 7.930 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.895 23.543 5.945 1.00 15.93 C ATOM 1264 CD1 ILE A 79 15.818 24.689 9.465 1.00 20.45 C ATOM 0 H ILE A 79 14.603 26.732 6.923 1.00 14.84 H new ATOM 0 HA ILE A 79 12.578 24.521 6.766 1.00 16.24 H new ATOM 0 HB ILE A 79 14.337 23.208 8.004 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.733 24.292 7.544 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.841 25.799 7.606 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.744 22.861 5.980 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.025 23.020 5.549 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.135 24.388 5.300 1.00 15.93 H new ATOM 0 HD11 ILE A 79 16.700 25.195 9.857 1.00 20.45 H new ATOM 0 HD12 ILE A 79 14.921 25.177 9.846 1.00 20.45 H new ATOM 0 HD13 ILE A 79 15.827 23.646 9.782 1.00 20.45 H new ATOM 1276 N GLY A 80 13.188 26.553 9.169 1.00 12.42 N ATOM 1277 CA GLY A 80 12.756 26.950 10.542 1.00 13.73 C ATOM 1278 C GLY A 80 13.961 27.400 11.368 1.00 12.94 C ATOM 1279 O GLY A 80 15.017 27.691 10.842 1.00 13.82 O ATOM 0 H GLY A 80 13.670 27.279 8.640 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.026 27.757 10.482 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.263 26.111 11.033 1.00 13.73 H new ATOM 1283 N GLY A 81 13.803 27.467 12.663 1.00 12.24 N ATOM 1284 CA GLY A 81 14.926 27.909 13.538 1.00 10.24 C ATOM 1285 C GLY A 81 15.812 26.718 13.903 1.00 11.98 C ATOM 1286 O GLY A 81 16.006 25.808 13.121 1.00 12.42 O ATOM 0 H GLY A 81 12.940 27.233 13.154 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.518 28.668 13.027 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.531 28.369 14.444 1.00 10.24 H new ATOM 1290 N SER A 82 16.361 26.730 15.086 1.00 0.00 N ATOM 1291 CA SER A 82 17.251 25.616 15.515 1.00 0.00 C ATOM 1292 C SER A 82 16.424 24.364 15.796 1.00 0.00 C ATOM 1293 O SER A 82 16.613 23.333 15.184 1.00 0.00 O ATOM 1294 CB SER A 82 18.004 26.028 16.780 1.00 0.00 C ATOM 1295 OG SER A 82 18.253 24.876 17.575 1.00 0.00 O ATOM 0 H SER A 82 16.230 27.468 15.778 1.00 0.00 H new ATOM 0 HA SER A 82 17.963 25.399 14.719 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.944 26.512 16.516 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.419 26.754 17.345 1.00 0.00 H new ATOM 0 HG SER A 82 18.737 25.137 18.386 1.00 0.00 H new ATOM 1301 N SER A 83 15.510 24.447 16.717 1.00 0.00 N ATOM 1302 CA SER A 83 14.671 23.261 17.043 1.00 0.00 C ATOM 1303 C SER A 83 14.100 22.688 15.749 1.00 0.00 C ATOM 1304 O SER A 83 13.808 21.513 15.648 1.00 0.00 O ATOM 1305 CB SER A 83 13.530 23.682 17.969 1.00 0.00 C ATOM 1306 OG SER A 83 12.625 22.597 18.122 1.00 0.00 O ATOM 0 H SER A 83 15.306 25.286 17.260 1.00 0.00 H new ATOM 0 HA SER A 83 15.276 22.505 17.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.925 23.980 18.940 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.012 24.548 17.556 1.00 0.00 H new ATOM 0 HG SER A 83 11.893 22.863 18.717 1.00 0.00 H new ATOM 1312 N ASP A 84 13.951 23.513 14.756 1.00 12.98 N ATOM 1313 CA ASP A 84 13.415 23.028 13.457 1.00 14.53 C ATOM 1314 C ASP A 84 14.506 22.241 12.728 1.00 11.28 C ATOM 1315 O ASP A 84 14.282 21.154 12.237 1.00 12.09 O ATOM 1316 CB ASP A 84 12.991 24.225 12.604 1.00 17.72 C ATOM 1317 CG ASP A 84 11.946 25.049 13.361 1.00 19.35 C ATOM 1318 OD1 ASP A 84 10.784 24.680 13.318 1.00 27.06 O ATOM 1319 OD2 ASP A 84 12.326 26.036 13.969 1.00 21.94 O ATOM 0 H ASP A 84 14.178 24.507 14.787 1.00 12.98 H new ATOM 0 HA ASP A 84 12.553 22.384 13.631 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.858 24.844 12.371 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.580 23.881 11.655 1.00 17.72 H new ATOM 1324 N LEU A 85 15.686 22.789 12.657 1.00 11.34 N ATOM 1325 CA LEU A 85 16.805 22.090 11.961 1.00 11.04 C ATOM 1326 C LEU A 85 16.976 20.683 12.539 1.00 12.09 C ATOM 1327 O LEU A 85 16.901 19.695 11.838 1.00 11.43 O ATOM 1328 CB LEU A 85 18.101 22.881 12.180 1.00 9.45 C ATOM 1329 CG LEU A 85 19.121 22.553 11.081 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.439 23.274 11.378 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.375 21.042 11.035 1.00 15.31 C ATOM 0 H LEU A 85 15.926 23.697 13.054 1.00 11.34 H new ATOM 0 HA LEU A 85 16.582 22.020 10.896 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.887 23.950 12.179 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.520 22.641 13.157 1.00 9.45 H new ATOM 0 HG LEU A 85 18.726 22.882 10.120 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.164 23.042 10.598 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.267 24.350 11.405 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.825 22.944 12.342 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.100 20.819 10.252 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.765 20.709 11.997 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.441 20.522 10.823 1.00 15.31 H new ATOM 1343 N VAL A 86 17.233 20.593 13.813 1.00 0.00 N ATOM 1344 CA VAL A 86 17.446 19.258 14.443 1.00 0.00 C ATOM 1345 C VAL A 86 16.283 18.316 14.113 1.00 0.00 C ATOM 1346 O VAL A 86 16.487 17.207 13.674 1.00 0.00 O ATOM 1347 CB VAL A 86 17.564 19.419 15.969 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.039 19.382 16.379 1.00 0.00 C ATOM 1349 CG2 VAL A 86 16.955 20.755 16.404 1.00 0.00 C ATOM 0 H VAL A 86 17.305 21.388 14.448 1.00 0.00 H new ATOM 0 HA VAL A 86 18.367 18.828 14.048 1.00 0.00 H new ATOM 0 HB VAL A 86 17.027 18.602 16.452 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.119 19.496 17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.476 18.429 16.082 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.574 20.195 15.888 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.043 20.860 17.485 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.485 21.573 15.916 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.903 20.784 16.121 1.00 0.00 H new ATOM 1359 N SER A 87 15.069 18.735 14.320 1.00 14.12 N ATOM 1360 CA SER A 87 13.922 17.830 14.021 1.00 14.37 C ATOM 1361 C SER A 87 14.119 17.175 12.649 1.00 13.29 C ATOM 1362 O SER A 87 13.844 16.007 12.460 1.00 11.18 O ATOM 1363 CB SER A 87 12.623 18.642 14.014 1.00 13.30 C ATOM 1364 OG SER A 87 11.537 17.793 14.361 1.00 21.79 O ATOM 0 H SER A 87 14.819 19.656 14.680 1.00 14.12 H new ATOM 0 HA SER A 87 13.868 17.054 14.785 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.694 19.469 14.721 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.458 19.078 13.029 1.00 13.30 H new ATOM 0 HG SER A 87 10.704 18.310 14.359 1.00 21.79 H new ATOM 1370 N LEU A 88 14.571 17.928 11.688 1.00 0.00 N ATOM 1371 CA LEU A 88 14.767 17.371 10.317 1.00 0.00 C ATOM 1372 C LEU A 88 16.025 16.487 10.223 1.00 0.00 C ATOM 1373 O LEU A 88 16.021 15.476 9.550 1.00 0.00 O ATOM 1374 CB LEU A 88 14.886 18.531 9.330 1.00 0.00 C ATOM 1375 CG LEU A 88 13.693 19.477 9.502 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.905 20.726 8.645 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.403 18.775 9.067 1.00 0.00 C ATOM 0 H LEU A 88 14.816 18.913 11.791 1.00 0.00 H new ATOM 0 HA LEU A 88 13.909 16.743 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.818 19.071 9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.917 18.151 8.309 1.00 0.00 H new ATOM 0 HG LEU A 88 13.611 19.761 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.057 21.399 8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.818 21.232 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.992 20.438 7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.559 19.454 9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.482 18.484 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.248 17.887 9.679 1.00 0.00 H new ATOM 1389 N GLN A 89 17.108 16.866 10.850 1.00 0.00 N ATOM 1390 CA GLN A 89 18.353 16.046 10.736 1.00 0.00 C ATOM 1391 C GLN A 89 18.116 14.623 11.243 1.00 0.00 C ATOM 1392 O GLN A 89 18.290 13.663 10.518 1.00 0.00 O ATOM 1393 CB GLN A 89 19.464 16.692 11.560 1.00 0.00 C ATOM 1394 CG GLN A 89 20.797 16.008 11.247 1.00 0.00 C ATOM 1395 CD GLN A 89 21.250 16.374 9.831 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.989 17.320 9.644 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.844 15.655 8.820 1.00 0.00 N ATOM 0 H GLN A 89 17.186 17.700 11.432 1.00 0.00 H new ATOM 0 HA GLN A 89 18.641 16.001 9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.527 17.756 11.333 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.240 16.605 12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.552 16.315 11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.691 14.927 11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.224 14.861 8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.147 15.888 7.874 1.00 0.00 H new ATOM 1406 N GLN A 90 17.735 14.471 12.478 1.00 0.00 N ATOM 1407 CA GLN A 90 17.506 13.100 13.014 1.00 0.00 C ATOM 1408 C GLN A 90 16.453 12.396 12.166 1.00 0.00 C ATOM 1409 O GLN A 90 16.384 11.185 12.114 1.00 0.00 O ATOM 1410 CB GLN A 90 17.045 13.175 14.477 1.00 0.00 C ATOM 1411 CG GLN A 90 16.816 14.633 14.878 1.00 0.00 C ATOM 1412 CD GLN A 90 18.166 15.357 14.971 1.00 0.00 C ATOM 1413 OE1 GLN A 90 18.239 16.557 14.800 1.00 0.00 O ATOM 1414 NE2 GLN A 90 19.245 14.675 15.240 1.00 0.00 N ATOM 0 H GLN A 90 17.572 15.231 13.138 1.00 0.00 H new ATOM 0 HA GLN A 90 18.438 12.536 12.973 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.125 12.605 14.607 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.795 12.724 15.127 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.177 15.126 14.146 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.299 14.681 15.836 1.00 0.00 H new ATOM 0 HE21 GLN A 90 19.188 13.667 15.384 1.00 0.00 H new ATOM 0 HE22 GLN A 90 20.145 15.150 15.306 1.00 0.00 H new ATOM 1423 N SER A 91 15.643 13.152 11.492 1.00 0.00 N ATOM 1424 CA SER A 91 14.597 12.543 10.629 1.00 0.00 C ATOM 1425 C SER A 91 15.231 12.100 9.311 1.00 0.00 C ATOM 1426 O SER A 91 15.216 10.937 8.958 1.00 0.00 O ATOM 1427 CB SER A 91 13.503 13.573 10.354 1.00 0.00 C ATOM 1428 OG SER A 91 12.875 13.922 11.580 1.00 0.00 O ATOM 0 H SER A 91 15.658 14.172 11.500 1.00 0.00 H new ATOM 0 HA SER A 91 14.160 11.680 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.930 14.459 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.769 13.166 9.658 1.00 0.00 H new ATOM 0 HG SER A 91 12.908 14.894 11.699 1.00 0.00 H new ATOM 1434 N GLY A 92 15.794 13.026 8.585 1.00 19.34 N ATOM 1435 CA GLY A 92 16.444 12.686 7.282 1.00 19.37 C ATOM 1436 C GLY A 92 15.903 13.602 6.184 1.00 22.29 C ATOM 1437 O GLY A 92 16.430 13.660 5.091 1.00 25.64 O ATOM 0 H GLY A 92 15.833 14.013 8.839 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.525 12.798 7.363 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.250 11.644 7.028 1.00 19.37 H new ATOM 1441 N GLU A 93 14.855 14.321 6.467 1.00 22.54 N ATOM 1442 CA GLU A 93 14.282 15.233 5.445 1.00 24.53 C ATOM 1443 C GLU A 93 15.255 16.391 5.209 1.00 23.48 C ATOM 1444 O GLU A 93 15.275 17.001 4.161 1.00 22.85 O ATOM 1445 CB GLU A 93 12.945 15.775 5.951 1.00 27.50 C ATOM 1446 CG GLU A 93 12.246 16.546 4.832 1.00 36.43 C ATOM 1447 CD GLU A 93 11.642 15.562 3.827 1.00 44.30 C ATOM 1448 OE1 GLU A 93 11.350 14.446 4.223 1.00 50.26 O ATOM 1449 OE2 GLU A 93 11.482 15.943 2.679 1.00 42.86 O ATOM 0 H GLU A 93 14.370 14.315 7.365 1.00 22.54 H new ATOM 0 HA GLU A 93 14.123 14.696 4.510 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.313 14.954 6.290 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.107 16.427 6.809 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.464 17.181 5.248 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.957 17.203 4.330 1.00 36.43 H new ATOM 1456 N LEU A 94 16.061 16.695 6.184 1.00 24.17 N ATOM 1457 CA LEU A 94 17.039 17.809 6.032 1.00 22.19 C ATOM 1458 C LEU A 94 17.960 17.547 4.850 1.00 22.62 C ATOM 1459 O LEU A 94 17.978 18.282 3.883 1.00 21.76 O ATOM 1460 CB LEU A 94 17.892 17.902 7.292 1.00 23.15 C ATOM 1461 CG LEU A 94 18.795 19.140 7.214 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.965 20.413 7.409 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.867 19.054 8.303 1.00 21.18 C ATOM 0 H LEU A 94 16.086 16.218 7.085 1.00 24.17 H new ATOM 0 HA LEU A 94 16.490 18.736 5.868 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.252 17.961 8.172 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.499 17.003 7.399 1.00 23.15 H new ATOM 0 HG LEU A 94 19.269 19.176 6.233 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.617 21.285 7.352 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.206 20.475 6.629 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.481 20.386 8.385 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.510 19.932 8.250 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.389 19.013 9.282 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.466 18.156 8.154 1.00 21.18 H new ATOM 1475 N LEU A 95 18.743 16.510 4.934 1.00 0.00 N ATOM 1476 CA LEU A 95 19.692 16.208 3.831 1.00 0.00 C ATOM 1477 C LEU A 95 18.924 16.166 2.521 1.00 0.00 C ATOM 1478 O LEU A 95 19.451 16.445 1.464 1.00 0.00 O ATOM 1479 CB LEU A 95 20.380 14.860 4.113 1.00 0.00 C ATOM 1480 CG LEU A 95 19.606 13.684 3.489 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.142 13.398 2.081 1.00 0.00 C ATOM 1482 CD2 LEU A 95 19.795 12.432 4.359 1.00 0.00 C ATOM 0 H LEU A 95 18.766 15.859 5.719 1.00 0.00 H new ATOM 0 HA LEU A 95 20.460 16.979 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.395 14.879 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.462 14.711 5.190 1.00 0.00 H new ATOM 0 HG LEU A 95 18.549 13.942 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.591 12.565 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.017 14.283 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.200 13.142 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.248 11.598 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 95 20.855 12.183 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.416 12.626 5.363 1.00 0.00 H new ATOM 1494 N THR A 96 17.673 15.840 2.589 1.00 15.75 N ATOM 1495 CA THR A 96 16.861 15.801 1.347 1.00 17.89 C ATOM 1496 C THR A 96 16.792 17.214 0.758 1.00 14.96 C ATOM 1497 O THR A 96 17.034 17.410 -0.415 1.00 17.84 O ATOM 1498 CB THR A 96 15.454 15.269 1.655 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.406 13.881 1.352 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.404 16.006 0.815 1.00 28.03 C ATOM 0 H THR A 96 17.175 15.599 3.446 1.00 15.75 H new ATOM 0 HA THR A 96 17.322 15.132 0.621 1.00 17.89 H new ATOM 0 HB THR A 96 15.237 15.433 2.710 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.511 13.534 1.548 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.413 15.615 1.047 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.437 17.071 1.044 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.614 15.856 -0.244 1.00 28.03 H new ATOM 1508 N ARG A 97 16.486 18.206 1.560 1.00 12.39 N ATOM 1509 CA ARG A 97 16.424 19.596 1.017 1.00 13.82 C ATOM 1510 C ARG A 97 17.788 19.937 0.426 1.00 14.98 C ATOM 1511 O ARG A 97 17.896 20.631 -0.563 1.00 16.48 O ATOM 1512 CB ARG A 97 16.098 20.594 2.135 1.00 18.70 C ATOM 1513 CG ARG A 97 14.902 20.101 2.954 1.00 27.27 C ATOM 1514 CD ARG A 97 13.618 20.198 2.125 1.00 36.05 C ATOM 1515 NE ARG A 97 13.518 21.548 1.497 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.650 21.759 0.545 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.844 20.802 0.175 1.00 39.86 N ATOM 1518 NH2 ARG A 97 12.583 22.927 -0.030 1.00 40.96 N ATOM 0 H ARG A 97 16.279 18.114 2.555 1.00 12.39 H new ATOM 0 HA ARG A 97 15.645 19.657 0.257 1.00 13.82 H new ATOM 0 HB2 ARG A 97 16.965 20.720 2.784 1.00 18.70 H new ATOM 0 HB3 ARG A 97 15.876 21.571 1.706 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.066 19.069 3.265 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.803 20.696 3.862 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.614 19.428 1.354 1.00 36.05 H new ATOM 0 HD3 ARG A 97 12.751 20.018 2.760 1.00 36.05 H new ATOM 0 HE ARG A 97 14.126 22.304 1.811 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.892 19.890 0.629 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.165 20.966 -0.569 1.00 39.86 H new ATOM 0 HH21 ARG A 97 13.209 23.677 0.264 1.00 40.96 H new ATOM 0 HH22 ARG A 97 11.905 23.091 -0.774 1.00 40.96 H new ATOM 1532 N LEU A 98 18.830 19.435 1.021 1.00 12.44 N ATOM 1533 CA LEU A 98 20.191 19.694 0.496 1.00 12.45 C ATOM 1534 C LEU A 98 20.367 18.928 -0.820 1.00 14.25 C ATOM 1535 O LEU A 98 20.977 19.400 -1.759 1.00 12.19 O ATOM 1536 CB LEU A 98 21.215 19.183 1.515 1.00 13.23 C ATOM 1537 CG LEU A 98 21.432 20.213 2.629 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.207 20.264 3.544 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.654 19.805 3.453 1.00 15.05 C ATOM 0 H LEU A 98 18.794 18.851 1.857 1.00 12.44 H new ATOM 0 HA LEU A 98 20.334 20.761 0.326 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.870 18.243 1.945 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.161 18.976 1.015 1.00 13.23 H new ATOM 0 HG LEU A 98 21.587 21.196 2.184 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.372 20.999 4.332 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.330 20.546 2.962 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.046 19.283 3.991 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.816 20.533 4.248 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.486 18.821 3.890 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.532 19.770 2.809 1.00 15.05 H new ATOM 1551 N LYS A 99 19.853 17.727 -0.867 1.00 0.00 N ATOM 1552 CA LYS A 99 19.991 16.874 -2.085 1.00 0.00 C ATOM 1553 C LYS A 99 19.233 17.461 -3.286 1.00 0.00 C ATOM 1554 O LYS A 99 19.789 17.624 -4.353 1.00 0.00 O ATOM 1555 CB LYS A 99 19.441 15.480 -1.773 1.00 0.00 C ATOM 1556 CG LYS A 99 19.824 14.512 -2.894 1.00 0.00 C ATOM 1557 CD LYS A 99 19.267 13.121 -2.583 1.00 0.00 C ATOM 1558 CE LYS A 99 19.366 12.245 -3.832 1.00 0.00 C ATOM 1559 NZ LYS A 99 20.739 12.353 -4.403 1.00 0.00 N ATOM 0 H LYS A 99 19.336 17.295 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 99 21.047 16.827 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.839 15.126 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.357 15.521 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.430 14.868 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.908 14.467 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.824 12.669 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.229 13.197 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.145 11.208 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.627 12.559 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.923 11.537 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.817 13.230 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.436 12.367 -3.631 1.00 0.00 H new ATOM 1573 N GLN A 100 17.965 17.746 -3.142 1.00 18.17 N ATOM 1574 CA GLN A 100 17.191 18.278 -4.303 1.00 18.02 C ATOM 1575 C GLN A 100 17.939 19.444 -4.962 1.00 18.05 C ATOM 1576 O GLN A 100 17.872 19.622 -6.162 1.00 19.19 O ATOM 1577 CB GLN A 100 15.794 18.732 -3.850 1.00 20.45 C ATOM 1578 CG GLN A 100 15.831 19.175 -2.385 1.00 29.25 C ATOM 1579 CD GLN A 100 14.747 20.224 -2.136 1.00 34.17 C ATOM 1580 OE1 GLN A 100 13.738 19.927 -1.363 1.00 34.86 O flip ATOM 1581 NE2 GLN A 100 14.818 21.324 -2.647 1.00 38.64 N flip ATOM 0 H GLN A 100 17.435 17.635 -2.278 1.00 18.17 H new ATOM 0 HA GLN A 100 17.080 17.480 -5.037 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.450 19.554 -4.477 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.081 17.917 -3.973 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.677 18.316 -1.731 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.811 19.587 -2.144 1.00 29.25 H new ATOM 0 HE21 GLN A 100 15.607 21.556 -3.251 1.00 38.64 H new ATOM 0 HE22 GLN A 100 14.089 22.016 -2.472 1.00 38.64 H new ATOM 1590 N ILE A 101 18.657 20.237 -4.208 1.00 0.00 N ATOM 1591 CA ILE A 101 19.401 21.374 -4.831 1.00 0.00 C ATOM 1592 C ILE A 101 20.877 20.994 -4.978 1.00 0.00 C ATOM 1593 O ILE A 101 21.629 21.641 -5.679 1.00 0.00 O ATOM 1594 CB ILE A 101 19.270 22.624 -3.958 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.832 22.342 -2.562 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.796 23.017 -3.846 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.648 23.579 -1.677 1.00 0.00 C ATOM 0 H ILE A 101 18.760 20.148 -3.197 1.00 0.00 H new ATOM 0 HA ILE A 101 18.981 21.586 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 101 19.831 23.441 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.322 21.486 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.889 22.084 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.703 23.907 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.398 23.225 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.235 22.199 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 101 20.048 23.378 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 101 20.178 24.424 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.587 23.817 -1.600 1.00 0.00 H new ATOM 1609 N GLY A 102 21.290 19.937 -4.334 1.00 11.15 N ATOM 1610 CA GLY A 102 22.711 19.497 -4.447 1.00 12.21 C ATOM 1611 C GLY A 102 23.612 20.360 -3.563 1.00 14.73 C ATOM 1612 O GLY A 102 24.659 20.810 -3.983 1.00 18.54 O ATOM 0 H GLY A 102 20.704 19.357 -3.733 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.798 18.451 -4.153 1.00 12.21 H new ATOM 0 HA3 GLY A 102 23.037 19.565 -5.485 1.00 12.21 H new ATOM 1616 N ALA A 103 23.221 20.588 -2.344 1.00 10.84 N ATOM 1617 CA ALA A 103 24.068 21.416 -1.437 1.00 9.88 C ATOM 1618 C ALA A 103 25.095 20.523 -0.737 1.00 9.21 C ATOM 1619 O ALA A 103 26.052 20.996 -0.157 1.00 7.47 O ATOM 1620 CB ALA A 103 23.185 22.090 -0.387 1.00 4.30 C ATOM 0 H ALA A 103 22.355 20.240 -1.934 1.00 10.84 H new ATOM 0 HA ALA A 103 24.585 22.177 -2.022 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.804 22.695 0.275 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.453 22.728 -0.882 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.667 21.328 0.196 1.00 4.30 H new ATOM 1626 N LEU A 104 24.902 19.233 -0.788 1.00 0.00 N ATOM 1627 CA LEU A 104 25.862 18.301 -0.125 1.00 0.00 C ATOM 1628 C LEU A 104 26.890 17.801 -1.141 1.00 0.00 C ATOM 1629 O LEU A 104 26.804 18.079 -2.319 1.00 0.00 O ATOM 1630 CB LEU A 104 25.102 17.110 0.476 1.00 0.00 C ATOM 1631 CG LEU A 104 24.689 16.111 -0.617 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.830 15.010 0.006 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.879 16.823 -1.703 1.00 0.00 C ATOM 0 H LEU A 104 24.119 18.782 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 104 26.380 18.833 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.729 16.609 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.216 17.467 1.001 1.00 0.00 H new ATOM 0 HG LEU A 104 25.586 15.680 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.534 14.299 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.403 14.493 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.939 15.452 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.592 16.106 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.983 17.260 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.484 17.611 -2.150 1.00 0.00 H new ATOM 1645 N GLN A 105 27.862 17.061 -0.686 1.00 0.00 N ATOM 1646 CA GLN A 105 28.902 16.535 -1.612 1.00 0.00 C ATOM 1647 C GLN A 105 28.362 15.307 -2.348 1.00 0.00 C ATOM 1648 O GLN A 105 28.807 15.063 -3.457 1.00 0.00 O ATOM 1649 CB GLN A 105 30.140 16.143 -0.806 1.00 0.00 C ATOM 1650 CG GLN A 105 30.781 17.397 -0.210 1.00 0.00 C ATOM 1651 CD GLN A 105 32.089 17.021 0.490 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.321 15.771 0.784 1.00 0.00 O flip ATOM 1653 NE2 GLN A 105 32.908 17.872 0.771 1.00 0.00 N flip ATOM 1654 OXT GLN A 105 27.515 14.631 -1.790 1.00 0.00 O ATOM 0 H GLN A 105 27.981 16.797 0.292 1.00 0.00 H new ATOM 0 HA GLN A 105 29.165 17.303 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.865 15.450 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.855 15.626 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.974 18.128 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 105 30.098 17.865 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.727 18.849 0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.777 17.610 1.237 1.00 0.00 H new