USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 961 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 30 GLN : amide:sc= -5.03! C(o=-8.6!,f=-6.2!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -3.6! K(o=-8.6!,f=-6.2) USER MOD Set 2.1: A 73 THR OG1 : rot 83:sc= 0.399 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -0.121 K(o=0.28,f=0.86) USER MOD Set 3.1: A 6 SER OG : rot 39:sc= 0.936 USER MOD Set 3.2: A 24 HIS : no HD1:sc= 0.124 K(o=1.1,f=-0.071) USER MOD Set 4.1: A 19 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.2!) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 11:sc= 0.148 USER MOD Single : A 11 SER OG : rot 143:sc= 1.04 USER MOD Single : A 27 MET CE :methyl -165:sc= -0.61 (180deg=-1.36) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -44:sc= 1.04 USER MOD Single : A 43 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.7!) USER MOD Single : A 44 GLN : amide:sc=-0.00373 K(o=-0.0037,f=-1.2) USER MOD Single : A 45 THR OG1 : rot -156:sc= -1.04 USER MOD Single : A 46 GLN : amide:sc= 0.0832 K(o=0.083,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.89 K(o=-1.9,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 66:sc= 1.17 USER MOD Single : A 58 GLN : amide:sc= -0.525 K(o=-0.53,f=-2.4!) USER MOD Single : A 63 ASN : amide:sc= -7.06! K(o=-7.1!,f=-2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.64! X(o=-2.6!,f=-2.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -9.93! C(o=-9.9!,f=-9.4!) USER MOD Single : A 81 TYR OH : rot -116:sc= 0.114 USER MOD Single : A 82 ASN : amide:sc= -11.5! C(o=-11!,f=-25!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.159 K(o=-0.16,f=-0.83) USER MOD Single : A 93 SER OG : rot 90:sc= 0.241 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -5.99! C(o=-6!,f=-7.9!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -156:sc= -0.0223 (180deg=-0.626) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 44:sc= 0.797 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.270 14.556 -6.373 1.00 0.00 N ATOM 2 CA GLY A 1 -15.397 14.745 -7.266 1.00 0.00 C ATOM 3 C GLY A 1 -14.967 15.060 -8.685 1.00 0.00 C ATOM 4 O GLY A 1 -14.737 14.154 -9.487 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.617 14.343 -5.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.686 13.765 -6.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.697 15.424 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.010 13.844 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.022 15.556 -6.891 1.00 0.00 H new ATOM 8 N SER A 2 -14.858 16.347 -8.997 1.00 0.00 N ATOM 9 CA SER A 2 -14.457 16.779 -10.331 1.00 0.00 C ATOM 10 C SER A 2 -13.358 17.835 -10.253 1.00 0.00 C ATOM 11 O SER A 2 -12.383 17.788 -11.002 1.00 0.00 O ATOM 12 CB SER A 2 -15.661 17.335 -11.094 1.00 0.00 C ATOM 13 OG SER A 2 -15.390 17.420 -12.482 1.00 0.00 O ATOM 0 H SER A 2 -15.042 17.109 -8.344 1.00 0.00 H new ATOM 0 HA SER A 2 -14.067 15.912 -10.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.528 16.695 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.915 18.322 -10.709 1.00 0.00 H new ATOM 0 HG SER A 2 -16.175 17.777 -12.947 1.00 0.00 H new ATOM 19 N SER A 3 -13.525 18.787 -9.341 1.00 0.00 N ATOM 20 CA SER A 3 -12.551 19.858 -9.166 1.00 0.00 C ATOM 21 C SER A 3 -11.176 19.291 -8.826 1.00 0.00 C ATOM 22 O SER A 3 -10.868 19.034 -7.663 1.00 0.00 O ATOM 23 CB SER A 3 -13.007 20.816 -8.064 1.00 0.00 C ATOM 24 OG SER A 3 -12.154 21.945 -7.985 1.00 0.00 O ATOM 0 H SER A 3 -14.326 18.839 -8.712 1.00 0.00 H new ATOM 0 HA SER A 3 -12.477 20.406 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.029 21.141 -8.260 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.016 20.296 -7.106 1.00 0.00 H new ATOM 0 HG SER A 3 -12.467 22.543 -7.274 1.00 0.00 H new ATOM 30 N GLY A 4 -10.352 19.098 -9.851 1.00 0.00 N ATOM 31 CA GLY A 4 -9.019 18.562 -9.642 1.00 0.00 C ATOM 32 C GLY A 4 -8.219 18.480 -10.926 1.00 0.00 C ATOM 33 O GLY A 4 -8.780 18.543 -12.020 1.00 0.00 O ATOM 0 H GLY A 4 -10.583 19.303 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.487 19.188 -8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.095 17.568 -9.201 1.00 0.00 H new ATOM 37 N SER A 5 -6.904 18.340 -10.794 1.00 0.00 N ATOM 38 CA SER A 5 -6.024 18.254 -11.954 1.00 0.00 C ATOM 39 C SER A 5 -6.327 17.004 -12.775 1.00 0.00 C ATOM 40 O SER A 5 -5.645 15.987 -12.652 1.00 0.00 O ATOM 41 CB SER A 5 -4.560 18.243 -11.510 1.00 0.00 C ATOM 42 OG SER A 5 -4.335 17.257 -10.518 1.00 0.00 O ATOM 0 H SER A 5 -6.424 18.284 -9.896 1.00 0.00 H new ATOM 0 HA SER A 5 -6.201 19.130 -12.579 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.918 18.052 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.288 19.224 -11.121 1.00 0.00 H new ATOM 0 HG SER A 5 -5.119 16.673 -10.454 1.00 0.00 H new ATOM 48 N SER A 6 -7.356 17.089 -13.612 1.00 0.00 N ATOM 49 CA SER A 6 -7.754 15.964 -14.451 1.00 0.00 C ATOM 50 C SER A 6 -8.703 16.419 -15.555 1.00 0.00 C ATOM 51 O SER A 6 -9.618 17.207 -15.317 1.00 0.00 O ATOM 52 CB SER A 6 -8.422 14.880 -13.604 1.00 0.00 C ATOM 53 OG SER A 6 -7.467 13.951 -13.120 1.00 0.00 O ATOM 0 H SER A 6 -7.929 17.925 -13.727 1.00 0.00 H new ATOM 0 HA SER A 6 -6.857 15.552 -14.913 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.944 15.340 -12.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.172 14.359 -14.200 1.00 0.00 H new ATOM 0 HG SER A 6 -6.651 14.427 -12.860 1.00 0.00 H new ATOM 59 N GLY A 7 -8.478 15.917 -16.765 1.00 0.00 N ATOM 60 CA GLY A 7 -9.320 16.283 -17.889 1.00 0.00 C ATOM 61 C GLY A 7 -8.821 15.708 -19.200 1.00 0.00 C ATOM 62 O GLY A 7 -8.700 16.424 -20.193 1.00 0.00 O ATOM 0 H GLY A 7 -7.727 15.263 -16.987 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.336 15.934 -17.706 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.365 17.369 -17.966 1.00 0.00 H new ATOM 66 N GLU A 8 -8.528 14.411 -19.202 1.00 0.00 N ATOM 67 CA GLU A 8 -8.036 13.742 -20.400 1.00 0.00 C ATOM 68 C GLU A 8 -8.649 12.351 -20.538 1.00 0.00 C ATOM 69 O GLU A 8 -9.060 11.743 -19.550 1.00 0.00 O ATOM 70 CB GLU A 8 -6.510 13.637 -20.363 1.00 0.00 C ATOM 71 CG GLU A 8 -5.924 12.856 -21.527 1.00 0.00 C ATOM 72 CD GLU A 8 -6.105 13.565 -22.855 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.363 14.534 -23.116 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.989 13.149 -23.633 1.00 0.00 O ATOM 0 H GLU A 8 -8.623 13.804 -18.388 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.331 14.338 -21.264 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.085 14.641 -20.360 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.210 13.161 -19.430 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.861 12.690 -21.350 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.396 11.875 -21.576 1.00 0.00 H new ATOM 81 N GLU A 9 -8.707 11.855 -21.770 1.00 0.00 N ATOM 82 CA GLU A 9 -9.271 10.537 -22.036 1.00 0.00 C ATOM 83 C GLU A 9 -8.806 9.525 -20.993 1.00 0.00 C ATOM 84 O GLU A 9 -7.744 9.665 -20.386 1.00 0.00 O ATOM 85 CB GLU A 9 -8.875 10.062 -23.436 1.00 0.00 C ATOM 86 CG GLU A 9 -7.375 10.066 -23.678 1.00 0.00 C ATOM 87 CD GLU A 9 -7.022 9.984 -25.151 1.00 0.00 C ATOM 88 OE1 GLU A 9 -7.031 11.035 -25.824 1.00 0.00 O ATOM 89 OE2 GLU A 9 -6.737 8.866 -25.630 1.00 0.00 O ATOM 0 H GLU A 9 -8.371 12.345 -22.599 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.357 10.617 -21.980 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.257 9.053 -23.590 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.356 10.701 -24.177 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.945 10.974 -23.255 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.924 9.224 -23.153 1.00 0.00 H new ATOM 96 N PRO A 10 -9.620 8.481 -20.778 1.00 0.00 N ATOM 97 CA PRO A 10 -9.314 7.425 -19.809 1.00 0.00 C ATOM 98 C PRO A 10 -8.147 6.549 -20.254 1.00 0.00 C ATOM 99 O PRO A 10 -7.810 5.566 -19.596 1.00 0.00 O ATOM 100 CB PRO A 10 -10.606 6.606 -19.755 1.00 0.00 C ATOM 101 CG PRO A 10 -11.259 6.843 -21.073 1.00 0.00 C ATOM 102 CD PRO A 10 -10.901 8.250 -21.466 1.00 0.00 C ATOM 0 HA PRO A 10 -9.011 7.833 -18.845 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.398 5.547 -19.601 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.245 6.928 -18.933 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.907 6.128 -21.817 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.340 6.721 -21.001 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.801 8.352 -22.547 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.662 8.962 -21.148 1.00 0.00 H new ATOM 110 N SER A 11 -7.534 6.914 -21.376 1.00 0.00 N ATOM 111 CA SER A 11 -6.407 6.160 -21.911 1.00 0.00 C ATOM 112 C SER A 11 -5.160 6.367 -21.057 1.00 0.00 C ATOM 113 O SER A 11 -4.705 7.495 -20.867 1.00 0.00 O ATOM 114 CB SER A 11 -6.126 6.578 -23.356 1.00 0.00 C ATOM 115 OG SER A 11 -7.318 6.603 -24.121 1.00 0.00 O ATOM 0 H SER A 11 -7.799 7.727 -21.932 1.00 0.00 H new ATOM 0 HA SER A 11 -6.667 5.102 -21.891 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.661 7.564 -23.369 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.416 5.885 -23.807 1.00 0.00 H new ATOM 0 HG SER A 11 -7.289 7.357 -24.747 1.00 0.00 H new ATOM 121 N GLY A 12 -4.611 5.270 -20.545 1.00 0.00 N ATOM 122 CA GLY A 12 -3.422 5.352 -19.717 1.00 0.00 C ATOM 123 C GLY A 12 -3.561 4.574 -18.424 1.00 0.00 C ATOM 124 O GLY A 12 -4.512 3.814 -18.247 1.00 0.00 O ATOM 0 H GLY A 12 -4.968 4.326 -20.689 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.567 4.972 -20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.214 6.397 -19.488 1.00 0.00 H new ATOM 128 N VAL A 13 -2.608 4.763 -17.516 1.00 0.00 N ATOM 129 CA VAL A 13 -2.628 4.073 -16.232 1.00 0.00 C ATOM 130 C VAL A 13 -3.839 4.487 -15.404 1.00 0.00 C ATOM 131 O VAL A 13 -4.618 3.643 -14.962 1.00 0.00 O ATOM 132 CB VAL A 13 -1.347 4.354 -15.424 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.453 3.756 -14.030 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.127 3.812 -16.154 1.00 0.00 C ATOM 0 H VAL A 13 -1.813 5.388 -17.646 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.687 3.006 -16.447 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.232 5.433 -15.323 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.539 3.965 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.303 4.196 -13.509 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.593 2.678 -14.106 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.769 4.019 -15.569 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.232 2.735 -16.288 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.043 4.293 -17.129 1.00 0.00 H new ATOM 144 N GLU A 14 -3.990 5.791 -15.199 1.00 0.00 N ATOM 145 CA GLU A 14 -5.108 6.317 -14.423 1.00 0.00 C ATOM 146 C GLU A 14 -6.362 5.475 -14.635 1.00 0.00 C ATOM 147 O GLU A 14 -6.999 5.037 -13.678 1.00 0.00 O ATOM 148 CB GLU A 14 -5.385 7.772 -14.808 1.00 0.00 C ATOM 149 CG GLU A 14 -4.196 8.694 -14.599 1.00 0.00 C ATOM 150 CD GLU A 14 -3.229 8.673 -15.767 1.00 0.00 C ATOM 151 OE1 GLU A 14 -3.643 9.042 -16.886 1.00 0.00 O ATOM 152 OE2 GLU A 14 -2.059 8.287 -15.562 1.00 0.00 O ATOM 0 H GLU A 14 -3.354 6.502 -15.559 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.837 6.273 -13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.685 7.811 -15.855 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.227 8.140 -14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.553 9.712 -14.446 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.669 8.401 -13.691 1.00 0.00 H new ATOM 159 N GLY A 15 -6.711 5.251 -15.899 1.00 0.00 N ATOM 160 CA GLY A 15 -7.887 4.463 -16.216 1.00 0.00 C ATOM 161 C GLY A 15 -8.108 3.330 -15.233 1.00 0.00 C ATOM 162 O GLY A 15 -9.223 3.121 -14.756 1.00 0.00 O ATOM 0 H GLY A 15 -6.200 5.602 -16.709 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.764 5.111 -16.222 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.786 4.053 -17.221 1.00 0.00 H new ATOM 166 N ALA A 16 -7.042 2.595 -14.931 1.00 0.00 N ATOM 167 CA ALA A 16 -7.125 1.478 -13.999 1.00 0.00 C ATOM 168 C ALA A 16 -7.966 1.840 -12.780 1.00 0.00 C ATOM 169 O ALA A 16 -8.915 1.135 -12.438 1.00 0.00 O ATOM 170 CB ALA A 16 -5.730 1.044 -13.571 1.00 0.00 C ATOM 0 H ALA A 16 -6.112 2.753 -15.318 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.612 0.647 -14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.806 0.209 -12.875 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.160 0.735 -14.447 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.223 1.877 -13.084 1.00 0.00 H new ATOM 176 N ALA A 17 -7.611 2.943 -12.129 1.00 0.00 N ATOM 177 CA ALA A 17 -8.335 3.399 -10.949 1.00 0.00 C ATOM 178 C ALA A 17 -9.826 3.104 -11.071 1.00 0.00 C ATOM 179 O ALA A 17 -10.502 2.844 -10.075 1.00 0.00 O ATOM 180 CB ALA A 17 -8.106 4.887 -10.732 1.00 0.00 C ATOM 0 H ALA A 17 -6.827 3.537 -12.399 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.953 2.854 -10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.653 5.214 -9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.042 5.075 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.460 5.440 -11.602 1.00 0.00 H new ATOM 186 N PHE A 18 -10.334 3.146 -12.298 1.00 0.00 N ATOM 187 CA PHE A 18 -11.747 2.885 -12.550 1.00 0.00 C ATOM 188 C PHE A 18 -12.234 1.693 -11.732 1.00 0.00 C ATOM 189 O PHE A 18 -13.169 1.811 -10.941 1.00 0.00 O ATOM 190 CB PHE A 18 -11.981 2.626 -14.040 1.00 0.00 C ATOM 191 CG PHE A 18 -13.216 1.818 -14.321 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.463 2.276 -13.927 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.130 0.602 -14.979 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.601 1.534 -14.184 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.264 -0.144 -15.238 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.502 0.324 -14.841 1.00 0.00 C ATOM 0 H PHE A 18 -9.789 3.358 -13.134 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.314 3.766 -12.248 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.055 3.581 -14.559 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.115 2.107 -14.451 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.547 3.223 -13.414 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.165 0.233 -15.293 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.567 1.901 -13.871 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.183 -1.091 -15.750 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.390 -0.256 -15.044 1.00 0.00 H new ATOM 206 N GLN A 19 -11.593 0.545 -11.931 1.00 0.00 N ATOM 207 CA GLN A 19 -11.961 -0.669 -11.213 1.00 0.00 C ATOM 208 C GLN A 19 -12.233 -0.370 -9.742 1.00 0.00 C ATOM 209 O GLN A 19 -13.061 -1.025 -9.108 1.00 0.00 O ATOM 210 CB GLN A 19 -10.853 -1.716 -11.336 1.00 0.00 C ATOM 211 CG GLN A 19 -9.558 -1.316 -10.648 1.00 0.00 C ATOM 212 CD GLN A 19 -8.776 -2.510 -10.137 1.00 0.00 C ATOM 213 OE1 GLN A 19 -7.973 -3.097 -10.863 1.00 0.00 O ATOM 214 NE2 GLN A 19 -9.007 -2.877 -8.882 1.00 0.00 N ATOM 0 H GLN A 19 -10.817 0.431 -12.583 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.874 -1.062 -11.660 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.205 -2.656 -10.912 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.652 -1.898 -12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.939 -0.753 -11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.784 -0.651 -9.815 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.681 -2.362 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.510 -3.674 -8.484 1.00 0.00 H new ATOM 223 N SER A 20 -11.530 0.622 -9.205 1.00 0.00 N ATOM 224 CA SER A 20 -11.693 1.004 -7.807 1.00 0.00 C ATOM 225 C SER A 20 -12.488 2.300 -7.687 1.00 0.00 C ATOM 226 O SER A 20 -12.225 3.271 -8.397 1.00 0.00 O ATOM 227 CB SER A 20 -10.326 1.168 -7.139 1.00 0.00 C ATOM 228 OG SER A 20 -9.835 -0.076 -6.671 1.00 0.00 O ATOM 0 H SER A 20 -10.843 1.175 -9.716 1.00 0.00 H new ATOM 0 HA SER A 20 -12.245 0.211 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.620 1.597 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.406 1.867 -6.307 1.00 0.00 H new ATOM 0 HG SER A 20 -8.960 0.055 -6.250 1.00 0.00 H new ATOM 234 N ARG A 21 -13.464 2.308 -6.785 1.00 0.00 N ATOM 235 CA ARG A 21 -14.299 3.483 -6.572 1.00 0.00 C ATOM 236 C ARG A 21 -13.580 4.512 -5.704 1.00 0.00 C ATOM 237 O ARG A 21 -14.150 5.040 -4.749 1.00 0.00 O ATOM 238 CB ARG A 21 -15.622 3.083 -5.917 1.00 0.00 C ATOM 239 CG ARG A 21 -16.532 2.272 -6.826 1.00 0.00 C ATOM 240 CD ARG A 21 -17.994 2.438 -6.443 1.00 0.00 C ATOM 241 NE ARG A 21 -18.829 1.376 -6.998 1.00 0.00 N ATOM 242 CZ ARG A 21 -19.149 1.288 -8.284 1.00 0.00 C ATOM 243 NH1 ARG A 21 -18.705 2.195 -9.144 1.00 0.00 N ATOM 244 NH2 ARG A 21 -19.913 0.292 -8.712 1.00 0.00 N ATOM 0 H ARG A 21 -13.696 1.513 -6.190 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.504 3.933 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.412 2.504 -5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.148 3.984 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.388 2.585 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.258 1.219 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.086 2.441 -5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.354 3.404 -6.796 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.186 0.662 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.117 2.962 -8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.952 2.126 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.255 -0.407 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.158 0.225 -9.700 1.00 0.00 H new ATOM 258 N LEU A 22 -12.326 4.790 -6.042 1.00 0.00 N ATOM 259 CA LEU A 22 -11.528 5.755 -5.294 1.00 0.00 C ATOM 260 C LEU A 22 -10.792 6.701 -6.237 1.00 0.00 C ATOM 261 O LEU A 22 -10.439 6.344 -7.362 1.00 0.00 O ATOM 262 CB LEU A 22 -10.526 5.030 -4.395 1.00 0.00 C ATOM 263 CG LEU A 22 -9.396 4.289 -5.111 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.236 5.231 -5.395 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.929 3.100 -4.284 1.00 0.00 C ATOM 0 H LEU A 22 -11.840 4.361 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.203 6.344 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.083 5.759 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.071 4.314 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.777 3.917 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.441 4.686 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.579 6.050 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.856 5.633 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.125 2.585 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.566 3.449 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.762 2.413 -4.132 1.00 0.00 H new ATOM 277 N PRO A 23 -10.551 7.935 -5.770 1.00 0.00 N ATOM 278 CA PRO A 23 -9.851 8.956 -6.555 1.00 0.00 C ATOM 279 C PRO A 23 -8.373 8.632 -6.741 1.00 0.00 C ATOM 280 O PRO A 23 -7.717 8.133 -5.826 1.00 0.00 O ATOM 281 CB PRO A 23 -10.019 10.225 -5.716 1.00 0.00 C ATOM 282 CG PRO A 23 -10.210 9.735 -4.322 1.00 0.00 C ATOM 283 CD PRO A 23 -10.943 8.428 -4.439 1.00 0.00 C ATOM 0 HA PRO A 23 -10.252 9.040 -7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.143 10.869 -5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.875 10.810 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.251 9.601 -3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.781 10.451 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.653 7.733 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.022 8.564 -4.363 1.00 0.00 H new ATOM 291 N HIS A 24 -7.854 8.920 -7.930 1.00 0.00 N ATOM 292 CA HIS A 24 -6.451 8.660 -8.235 1.00 0.00 C ATOM 293 C HIS A 24 -5.601 9.901 -7.980 1.00 0.00 C ATOM 294 O HIS A 24 -4.387 9.807 -7.794 1.00 0.00 O ATOM 295 CB HIS A 24 -6.298 8.213 -9.689 1.00 0.00 C ATOM 296 CG HIS A 24 -6.599 9.292 -10.683 1.00 0.00 C ATOM 297 ND1 HIS A 24 -7.879 9.719 -10.966 1.00 0.00 N ATOM 298 CD2 HIS A 24 -5.776 10.034 -11.461 1.00 0.00 C ATOM 299 CE1 HIS A 24 -7.830 10.676 -11.876 1.00 0.00 C ATOM 300 NE2 HIS A 24 -6.566 10.886 -12.193 1.00 0.00 N ATOM 0 H HIS A 24 -8.383 9.333 -8.698 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.104 7.862 -7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.279 7.860 -9.846 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.961 7.367 -9.872 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.699 9.968 -11.499 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.680 11.198 -12.290 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.231 11.570 -12.871 1.00 0.00 H new ATOM 309 N ASP A 25 -6.245 11.063 -7.974 1.00 0.00 N ATOM 310 CA ASP A 25 -5.548 12.323 -7.742 1.00 0.00 C ATOM 311 C ASP A 25 -5.317 12.549 -6.251 1.00 0.00 C ATOM 312 O ASP A 25 -4.336 13.178 -5.853 1.00 0.00 O ATOM 313 CB ASP A 25 -6.346 13.488 -8.330 1.00 0.00 C ATOM 314 CG ASP A 25 -5.675 14.826 -8.093 1.00 0.00 C ATOM 315 OD1 ASP A 25 -5.818 15.373 -6.979 1.00 0.00 O ATOM 316 OD2 ASP A 25 -5.007 15.327 -9.021 1.00 0.00 O ATOM 0 H ASP A 25 -7.249 11.159 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.579 12.271 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.474 13.333 -9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.343 13.501 -7.889 1.00 0.00 H new ATOM 321 N ARG A 26 -6.227 12.033 -5.431 1.00 0.00 N ATOM 322 CA ARG A 26 -6.124 12.181 -3.985 1.00 0.00 C ATOM 323 C ARG A 26 -6.168 10.821 -3.295 1.00 0.00 C ATOM 324 O ARG A 26 -6.448 9.803 -3.926 1.00 0.00 O ATOM 325 CB ARG A 26 -7.255 13.068 -3.459 1.00 0.00 C ATOM 326 CG ARG A 26 -8.642 12.575 -3.839 1.00 0.00 C ATOM 327 CD ARG A 26 -9.692 13.050 -2.847 1.00 0.00 C ATOM 328 NE ARG A 26 -10.165 14.397 -3.154 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.699 15.212 -2.251 1.00 0.00 C ATOM 330 NH1 ARG A 26 -10.826 14.819 -0.991 1.00 0.00 N ATOM 331 NH2 ARG A 26 -11.106 16.424 -2.608 1.00 0.00 N ATOM 0 H ARG A 26 -7.044 11.509 -5.744 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.167 12.653 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.184 13.127 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.120 14.079 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.895 12.931 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.644 11.486 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.535 12.359 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.274 13.033 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.081 14.730 -4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.513 13.889 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.236 15.447 -0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.009 16.730 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.516 17.049 -1.914 1.00 0.00 H new ATOM 345 N MET A 27 -5.888 10.813 -1.996 1.00 0.00 N ATOM 346 CA MET A 27 -5.895 9.578 -1.220 1.00 0.00 C ATOM 347 C MET A 27 -7.201 9.431 -0.445 1.00 0.00 C ATOM 348 O MET A 27 -7.901 10.413 -0.195 1.00 0.00 O ATOM 349 CB MET A 27 -4.709 9.550 -0.254 1.00 0.00 C ATOM 350 CG MET A 27 -3.366 9.761 -0.934 1.00 0.00 C ATOM 351 SD MET A 27 -2.099 10.359 0.200 1.00 0.00 S ATOM 352 CE MET A 27 -1.938 8.953 1.299 1.00 0.00 C ATOM 0 H MET A 27 -5.653 11.648 -1.458 1.00 0.00 H new ATOM 0 HA MET A 27 -5.808 8.742 -1.914 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.849 10.322 0.503 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.697 8.592 0.266 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.036 8.822 -1.378 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.484 10.475 -1.749 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.401 9.254 2.199 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.929 8.590 1.572 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.386 8.159 0.796 1.00 0.00 H new ATOM 362 N THR A 28 -7.524 8.198 -0.067 1.00 0.00 N ATOM 363 CA THR A 28 -8.746 7.923 0.678 1.00 0.00 C ATOM 364 C THR A 28 -8.471 7.840 2.175 1.00 0.00 C ATOM 365 O THR A 28 -7.319 7.745 2.600 1.00 0.00 O ATOM 366 CB THR A 28 -9.402 6.609 0.215 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.435 5.553 0.214 1.00 0.00 O ATOM 368 CG2 THR A 28 -9.997 6.761 -1.177 1.00 0.00 C ATOM 0 H THR A 28 -6.956 7.374 -0.265 1.00 0.00 H new ATOM 0 HA THR A 28 -9.428 8.750 0.482 1.00 0.00 H new ATOM 0 HB THR A 28 -10.205 6.365 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.860 4.720 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.454 5.820 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.754 7.545 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.210 7.027 -1.882 1.00 0.00 H new ATOM 376 N SER A 29 -9.534 7.878 2.971 1.00 0.00 N ATOM 377 CA SER A 29 -9.406 7.810 4.422 1.00 0.00 C ATOM 378 C SER A 29 -8.443 6.700 4.831 1.00 0.00 C ATOM 379 O SER A 29 -7.696 6.838 5.800 1.00 0.00 O ATOM 380 CB SER A 29 -10.775 7.576 5.066 1.00 0.00 C ATOM 381 OG SER A 29 -11.693 8.588 4.692 1.00 0.00 O ATOM 0 H SER A 29 -10.494 7.956 2.636 1.00 0.00 H new ATOM 0 HA SER A 29 -9.006 8.762 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.160 6.602 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.672 7.557 6.151 1.00 0.00 H new ATOM 0 HG SER A 29 -12.560 8.415 5.115 1.00 0.00 H new ATOM 387 N GLN A 30 -8.467 5.600 4.086 1.00 0.00 N ATOM 388 CA GLN A 30 -7.597 4.465 4.371 1.00 0.00 C ATOM 389 C GLN A 30 -6.152 4.781 4.000 1.00 0.00 C ATOM 390 O GLN A 30 -5.264 4.757 4.852 1.00 0.00 O ATOM 391 CB GLN A 30 -8.073 3.226 3.610 1.00 0.00 C ATOM 392 CG GLN A 30 -7.660 1.916 4.262 1.00 0.00 C ATOM 393 CD GLN A 30 -6.175 1.854 4.558 1.00 0.00 C ATOM 394 OE1 GLN A 30 -5.396 1.313 3.773 1.00 0.00 O ATOM 395 NE2 GLN A 30 -5.774 2.409 5.695 1.00 0.00 N ATOM 0 H GLN A 30 -9.079 5.470 3.281 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.643 4.264 5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.160 3.255 3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.676 3.258 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.217 1.785 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.931 1.088 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.454 2.847 6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.786 2.398 5.947 1.00 0.00 H new ATOM 404 N GLU A 31 -5.925 5.075 2.724 1.00 0.00 N ATOM 405 CA GLU A 31 -4.586 5.394 2.241 1.00 0.00 C ATOM 406 C GLU A 31 -3.933 6.462 3.114 1.00 0.00 C ATOM 407 O GLU A 31 -2.742 6.387 3.418 1.00 0.00 O ATOM 408 CB GLU A 31 -4.645 5.873 0.789 1.00 0.00 C ATOM 409 CG GLU A 31 -5.172 4.825 -0.177 1.00 0.00 C ATOM 410 CD GLU A 31 -4.138 3.769 -0.513 1.00 0.00 C ATOM 411 OE1 GLU A 31 -3.226 3.547 0.310 1.00 0.00 O ATOM 412 OE2 GLU A 31 -4.242 3.163 -1.600 1.00 0.00 O ATOM 0 H GLU A 31 -6.650 5.099 2.007 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.983 4.488 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.279 6.758 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.646 6.176 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.049 4.344 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.498 5.314 -1.095 1.00 0.00 H new ATOM 419 N ALA A 32 -4.721 7.455 3.514 1.00 0.00 N ATOM 420 CA ALA A 32 -4.220 8.536 4.353 1.00 0.00 C ATOM 421 C ALA A 32 -3.729 8.007 5.696 1.00 0.00 C ATOM 422 O ALA A 32 -2.708 8.458 6.215 1.00 0.00 O ATOM 423 CB ALA A 32 -5.302 9.586 4.560 1.00 0.00 C ATOM 0 H ALA A 32 -5.708 7.533 3.270 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.374 8.997 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.915 10.388 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.602 9.994 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.164 9.129 5.045 1.00 0.00 H new ATOM 429 N ALA A 33 -4.462 7.050 6.253 1.00 0.00 N ATOM 430 CA ALA A 33 -4.100 6.459 7.535 1.00 0.00 C ATOM 431 C ALA A 33 -2.853 5.590 7.407 1.00 0.00 C ATOM 432 O ALA A 33 -1.937 5.677 8.225 1.00 0.00 O ATOM 433 CB ALA A 33 -5.259 5.643 8.087 1.00 0.00 C ATOM 0 H ALA A 33 -5.311 6.667 5.837 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.877 7.269 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.974 5.208 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.126 6.289 8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.509 4.846 7.386 1.00 0.00 H new ATOM 439 N CYS A 34 -2.826 4.752 6.376 1.00 0.00 N ATOM 440 CA CYS A 34 -1.691 3.866 6.141 1.00 0.00 C ATOM 441 C CYS A 34 -0.435 4.666 5.814 1.00 0.00 C ATOM 442 O CYS A 34 0.642 4.398 6.348 1.00 0.00 O ATOM 443 CB CYS A 34 -2.004 2.894 5.002 1.00 0.00 C ATOM 444 SG CYS A 34 -1.164 1.299 5.141 1.00 0.00 S ATOM 0 H CYS A 34 -3.576 4.668 5.690 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.509 3.298 7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.080 2.724 4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.725 3.358 4.056 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.493 0.546 4.134 1.00 0.00 H new ATOM 450 N PHE A 35 -0.579 5.648 4.930 1.00 0.00 N ATOM 451 CA PHE A 35 0.545 6.486 4.529 1.00 0.00 C ATOM 452 C PHE A 35 0.344 7.925 4.994 1.00 0.00 C ATOM 453 O PHE A 35 -0.199 8.766 4.276 1.00 0.00 O ATOM 454 CB PHE A 35 0.720 6.448 3.009 1.00 0.00 C ATOM 455 CG PHE A 35 0.727 5.058 2.440 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.448 4.331 2.340 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.908 4.479 2.006 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.444 3.051 1.818 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.918 3.200 1.483 1.00 0.00 C ATOM 460 CZ PHE A 35 0.740 2.485 1.388 1.00 0.00 C ATOM 0 H PHE A 35 -1.463 5.883 4.478 1.00 0.00 H new ATOM 0 HA PHE A 35 1.445 6.093 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.085 7.018 2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.654 6.944 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.377 4.769 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.832 5.034 2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.366 2.494 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.846 2.760 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.745 1.486 0.978 1.00 0.00 H new ATOM 470 N PRO A 36 0.791 8.217 6.224 1.00 0.00 N ATOM 471 CA PRO A 36 0.672 9.554 6.813 1.00 0.00 C ATOM 472 C PRO A 36 1.584 10.570 6.135 1.00 0.00 C ATOM 473 O PRO A 36 1.180 11.703 5.872 1.00 0.00 O ATOM 474 CB PRO A 36 1.099 9.340 8.268 1.00 0.00 C ATOM 475 CG PRO A 36 1.986 8.143 8.230 1.00 0.00 C ATOM 476 CD PRO A 36 1.449 7.264 7.135 1.00 0.00 C ATOM 0 HA PRO A 36 -0.334 9.959 6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.626 10.211 8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.237 9.173 8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.019 8.429 8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.979 7.622 9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.246 6.714 6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.746 6.526 7.521 1.00 0.00 H new ATOM 484 N ASP A 37 2.815 10.158 5.853 1.00 0.00 N ATOM 485 CA ASP A 37 3.784 11.032 5.203 1.00 0.00 C ATOM 486 C ASP A 37 3.278 11.484 3.837 1.00 0.00 C ATOM 487 O ASP A 37 3.467 12.636 3.444 1.00 0.00 O ATOM 488 CB ASP A 37 5.128 10.317 5.051 1.00 0.00 C ATOM 489 CG ASP A 37 5.969 10.896 3.930 1.00 0.00 C ATOM 490 OD1 ASP A 37 6.482 12.022 4.095 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.114 10.222 2.889 1.00 0.00 O ATOM 0 H ASP A 37 3.165 9.224 6.065 1.00 0.00 H new ATOM 0 HA ASP A 37 3.919 11.913 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.680 10.385 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.953 9.258 4.860 1.00 0.00 H new ATOM 496 N ILE A 38 2.635 10.571 3.118 1.00 0.00 N ATOM 497 CA ILE A 38 2.102 10.876 1.796 1.00 0.00 C ATOM 498 C ILE A 38 0.975 11.900 1.881 1.00 0.00 C ATOM 499 O ILE A 38 1.023 12.945 1.231 1.00 0.00 O ATOM 500 CB ILE A 38 1.576 9.610 1.094 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.699 8.581 0.944 1.00 0.00 C ATOM 502 CG2 ILE A 38 0.988 9.962 -0.264 1.00 0.00 C ATOM 503 CD1 ILE A 38 3.848 9.061 0.085 1.00 0.00 C ATOM 0 H ILE A 38 2.470 9.613 3.429 1.00 0.00 H new ATOM 0 HA ILE A 38 2.925 11.290 1.213 1.00 0.00 H new ATOM 0 HB ILE A 38 0.787 9.174 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.078 8.323 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.289 7.668 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.621 9.057 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.164 10.663 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.758 10.419 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.607 8.281 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.482 9.292 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.284 9.956 0.528 1.00 0.00 H new ATOM 515 N ILE A 39 -0.035 11.595 2.687 1.00 0.00 N ATOM 516 CA ILE A 39 -1.172 12.491 2.860 1.00 0.00 C ATOM 517 C ILE A 39 -0.735 13.827 3.449 1.00 0.00 C ATOM 518 O ILE A 39 -1.304 14.872 3.135 1.00 0.00 O ATOM 519 CB ILE A 39 -2.247 11.868 3.770 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.453 12.802 3.886 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.668 11.570 5.145 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.328 12.815 2.652 1.00 0.00 C ATOM 0 H ILE A 39 -0.090 10.734 3.231 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.597 12.655 1.870 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.579 10.930 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.054 12.502 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.101 13.815 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.439 11.130 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.837 10.871 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.312 12.495 5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.163 13.499 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.742 13.145 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.710 11.811 2.466 1.00 0.00 H new ATOM 534 N SER A 40 0.282 13.786 4.305 1.00 0.00 N ATOM 535 CA SER A 40 0.796 14.994 4.940 1.00 0.00 C ATOM 536 C SER A 40 2.062 15.478 4.242 1.00 0.00 C ATOM 537 O SER A 40 2.984 15.983 4.882 1.00 0.00 O ATOM 538 CB SER A 40 1.083 14.734 6.420 1.00 0.00 C ATOM 539 OG SER A 40 1.561 15.904 7.060 1.00 0.00 O ATOM 0 H SER A 40 0.766 12.929 4.574 1.00 0.00 H new ATOM 0 HA SER A 40 0.036 15.771 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.175 14.390 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.820 13.936 6.516 1.00 0.00 H new ATOM 0 HG SER A 40 2.226 16.341 6.488 1.00 0.00 H new ATOM 545 N GLY A 41 2.100 15.321 2.922 1.00 0.00 N ATOM 546 CA GLY A 41 3.258 15.747 2.157 1.00 0.00 C ATOM 547 C GLY A 41 2.890 16.675 1.016 1.00 0.00 C ATOM 548 O GLY A 41 1.719 16.985 0.793 1.00 0.00 O ATOM 0 H GLY A 41 1.350 14.907 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.961 16.252 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.769 14.870 1.758 1.00 0.00 H new ATOM 552 N PRO A 42 3.906 17.135 0.271 1.00 0.00 N ATOM 553 CA PRO A 42 3.708 18.040 -0.864 1.00 0.00 C ATOM 554 C PRO A 42 3.026 17.353 -2.043 1.00 0.00 C ATOM 555 O PRO A 42 3.188 16.150 -2.248 1.00 0.00 O ATOM 556 CB PRO A 42 5.133 18.456 -1.239 1.00 0.00 C ATOM 557 CG PRO A 42 5.992 17.338 -0.759 1.00 0.00 C ATOM 558 CD PRO A 42 5.326 16.806 0.480 1.00 0.00 C ATOM 0 HA PRO A 42 3.058 18.877 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.234 18.599 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.408 19.398 -0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.081 16.561 -1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.001 17.687 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.478 15.732 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.719 17.276 1.381 1.00 0.00 H new ATOM 566 N GLN A 43 2.265 18.124 -2.813 1.00 0.00 N ATOM 567 CA GLN A 43 1.560 17.587 -3.970 1.00 0.00 C ATOM 568 C GLN A 43 2.418 16.561 -4.703 1.00 0.00 C ATOM 569 O GLN A 43 1.915 15.542 -5.175 1.00 0.00 O ATOM 570 CB GLN A 43 1.168 18.717 -4.924 1.00 0.00 C ATOM 571 CG GLN A 43 2.354 19.360 -5.624 1.00 0.00 C ATOM 572 CD GLN A 43 3.176 20.233 -4.697 1.00 0.00 C ATOM 573 OE1 GLN A 43 4.120 19.765 -4.060 1.00 0.00 O ATOM 574 NE2 GLN A 43 2.821 21.510 -4.615 1.00 0.00 N ATOM 0 H GLN A 43 2.121 19.122 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 43 0.657 17.090 -3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.482 18.326 -5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.628 19.482 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.991 18.580 -6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.996 19.961 -6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.032 21.856 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.338 22.145 -4.006 1.00 0.00 H new ATOM 583 N GLN A 44 3.714 16.838 -4.795 1.00 0.00 N ATOM 584 CA GLN A 44 4.641 15.939 -5.472 1.00 0.00 C ATOM 585 C GLN A 44 4.667 14.573 -4.795 1.00 0.00 C ATOM 586 O GLN A 44 4.496 13.542 -5.445 1.00 0.00 O ATOM 587 CB GLN A 44 6.048 16.541 -5.488 1.00 0.00 C ATOM 588 CG GLN A 44 6.959 15.929 -6.539 1.00 0.00 C ATOM 589 CD GLN A 44 8.231 16.727 -6.746 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.442 17.758 -6.105 1.00 0.00 O ATOM 591 NE2 GLN A 44 9.088 16.255 -7.644 1.00 0.00 N ATOM 0 H GLN A 44 4.146 17.678 -4.409 1.00 0.00 H new ATOM 0 HA GLN A 44 4.297 15.809 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.973 17.614 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.501 16.410 -4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.217 14.912 -6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.421 15.859 -7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.873 15.397 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.961 16.750 -7.825 1.00 0.00 H new ATOM 600 N THR A 45 4.883 14.572 -3.483 1.00 0.00 N ATOM 601 CA THR A 45 4.933 13.333 -2.717 1.00 0.00 C ATOM 602 C THR A 45 3.657 12.519 -2.904 1.00 0.00 C ATOM 603 O THR A 45 3.709 11.336 -3.236 1.00 0.00 O ATOM 604 CB THR A 45 5.137 13.608 -1.215 1.00 0.00 C ATOM 605 OG1 THR A 45 6.371 14.304 -1.008 1.00 0.00 O ATOM 606 CG2 THR A 45 5.142 12.310 -0.423 1.00 0.00 C ATOM 0 H THR A 45 5.026 15.416 -2.929 1.00 0.00 H new ATOM 0 HA THR A 45 5.783 12.764 -3.093 1.00 0.00 H new ATOM 0 HB THR A 45 4.309 14.225 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.686 14.147 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.288 12.530 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.190 11.797 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.952 11.672 -0.776 1.00 0.00 H new ATOM 614 N GLN A 46 2.514 13.162 -2.689 1.00 0.00 N ATOM 615 CA GLN A 46 1.225 12.497 -2.835 1.00 0.00 C ATOM 616 C GLN A 46 1.107 11.831 -4.202 1.00 0.00 C ATOM 617 O GLN A 46 0.753 10.656 -4.304 1.00 0.00 O ATOM 618 CB GLN A 46 0.085 13.499 -2.643 1.00 0.00 C ATOM 619 CG GLN A 46 -0.024 14.030 -1.223 1.00 0.00 C ATOM 620 CD GLN A 46 -1.116 15.071 -1.072 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.724 15.497 -2.054 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.372 15.487 0.163 1.00 0.00 N ATOM 0 H GLN A 46 2.454 14.142 -2.413 1.00 0.00 H new ATOM 0 HA GLN A 46 1.154 11.726 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.230 14.337 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.856 13.023 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.221 13.201 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.931 14.465 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.844 15.107 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.097 16.186 0.326 1.00 0.00 H new ATOM 631 N LYS A 47 1.405 12.589 -5.251 1.00 0.00 N ATOM 632 CA LYS A 47 1.334 12.074 -6.613 1.00 0.00 C ATOM 633 C LYS A 47 2.245 10.862 -6.785 1.00 0.00 C ATOM 634 O LYS A 47 1.846 9.848 -7.358 1.00 0.00 O ATOM 635 CB LYS A 47 1.724 13.164 -7.614 1.00 0.00 C ATOM 636 CG LYS A 47 0.835 14.394 -7.551 1.00 0.00 C ATOM 637 CD LYS A 47 1.573 15.640 -8.011 1.00 0.00 C ATOM 638 CE LYS A 47 1.728 15.668 -9.524 1.00 0.00 C ATOM 639 NZ LYS A 47 2.035 17.037 -10.024 1.00 0.00 N ATOM 0 H LYS A 47 1.698 13.564 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 47 0.306 11.765 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.756 13.462 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.687 12.750 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.045 14.240 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.481 14.536 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.031 16.527 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.557 15.676 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.525 14.986 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.811 15.308 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.133 17.015 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.263 17.683 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.924 17.371 -9.599 1.00 0.00 H new ATOM 653 N VAL A 48 3.471 10.974 -6.283 1.00 0.00 N ATOM 654 CA VAL A 48 4.438 9.886 -6.379 1.00 0.00 C ATOM 655 C VAL A 48 3.829 8.567 -5.917 1.00 0.00 C ATOM 656 O VAL A 48 4.029 7.526 -6.544 1.00 0.00 O ATOM 657 CB VAL A 48 5.697 10.179 -5.540 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.663 9.006 -5.600 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.368 11.458 -6.017 1.00 0.00 C ATOM 0 H VAL A 48 3.818 11.806 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 48 4.720 9.805 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 48 5.397 10.319 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.546 9.231 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.176 8.113 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.960 8.832 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.255 11.650 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.656 11.349 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.674 12.292 -5.917 1.00 0.00 H new ATOM 669 N PHE A 49 3.085 8.618 -4.818 1.00 0.00 N ATOM 670 CA PHE A 49 2.446 7.427 -4.271 1.00 0.00 C ATOM 671 C PHE A 49 1.171 7.092 -5.040 1.00 0.00 C ATOM 672 O PHE A 49 0.874 5.924 -5.295 1.00 0.00 O ATOM 673 CB PHE A 49 2.123 7.629 -2.789 1.00 0.00 C ATOM 674 CG PHE A 49 0.936 6.837 -2.321 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.352 7.260 -2.605 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.109 5.670 -1.595 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.447 6.534 -2.176 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.018 4.938 -1.163 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.261 5.372 -1.453 1.00 0.00 C ATOM 0 H PHE A 49 2.909 9.472 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 49 3.141 6.594 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.993 7.350 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.938 8.688 -2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.503 8.169 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.107 5.328 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.446 6.875 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.166 4.028 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.115 4.803 -1.115 1.00 0.00 H new ATOM 689 N LEU A 50 0.420 8.125 -5.406 1.00 0.00 N ATOM 690 CA LEU A 50 -0.824 7.942 -6.145 1.00 0.00 C ATOM 691 C LEU A 50 -0.554 7.375 -7.535 1.00 0.00 C ATOM 692 O LEU A 50 -1.474 6.947 -8.233 1.00 0.00 O ATOM 693 CB LEU A 50 -1.572 9.272 -6.261 1.00 0.00 C ATOM 694 CG LEU A 50 -2.332 9.725 -5.014 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.866 11.137 -5.199 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.467 8.760 -4.702 1.00 0.00 C ATOM 0 H LEU A 50 0.651 9.098 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.442 7.231 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.854 10.048 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.280 9.197 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.641 9.727 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.404 11.443 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.035 11.820 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.542 11.161 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.997 9.098 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.158 8.726 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.060 7.764 -4.526 1.00 0.00 H new ATOM 708 N PHE A 51 0.715 7.373 -7.931 1.00 0.00 N ATOM 709 CA PHE A 51 1.108 6.858 -9.237 1.00 0.00 C ATOM 710 C PHE A 51 1.555 5.402 -9.136 1.00 0.00 C ATOM 711 O PHE A 51 1.231 4.581 -9.994 1.00 0.00 O ATOM 712 CB PHE A 51 2.234 7.709 -9.828 1.00 0.00 C ATOM 713 CG PHE A 51 2.840 7.122 -11.070 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.660 6.008 -10.997 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.590 7.685 -12.312 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.220 5.465 -12.139 1.00 0.00 C ATOM 717 CE2 PHE A 51 3.147 7.147 -13.456 1.00 0.00 C ATOM 718 CZ PHE A 51 3.963 6.036 -13.370 1.00 0.00 C ATOM 0 H PHE A 51 1.489 7.723 -7.366 1.00 0.00 H new ATOM 0 HA PHE A 51 0.240 6.909 -9.895 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.847 8.702 -10.057 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.014 7.836 -9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.864 5.558 -10.037 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.953 8.554 -12.386 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.857 4.596 -12.068 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.944 7.595 -14.418 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.399 5.615 -14.264 1.00 0.00 H new ATOM 728 N ILE A 52 2.301 5.091 -8.081 1.00 0.00 N ATOM 729 CA ILE A 52 2.792 3.736 -7.867 1.00 0.00 C ATOM 730 C ILE A 52 1.639 2.742 -7.768 1.00 0.00 C ATOM 731 O ILE A 52 1.699 1.649 -8.330 1.00 0.00 O ATOM 732 CB ILE A 52 3.647 3.642 -6.589 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.883 4.535 -6.710 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.052 2.199 -6.327 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.365 5.083 -5.385 1.00 0.00 C ATOM 0 H ILE A 52 2.578 5.759 -7.362 1.00 0.00 H new ATOM 0 HA ILE A 52 3.411 3.486 -8.728 1.00 0.00 H new ATOM 0 HB ILE A 52 3.052 3.990 -5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.689 3.965 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.656 5.367 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.656 2.149 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.159 1.587 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.632 1.825 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.244 5.707 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.575 5.680 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.624 4.257 -4.722 1.00 0.00 H new ATOM 747 N ARG A 53 0.590 3.132 -7.051 1.00 0.00 N ATOM 748 CA ARG A 53 -0.577 2.276 -6.878 1.00 0.00 C ATOM 749 C ARG A 53 -1.192 1.916 -8.228 1.00 0.00 C ATOM 750 O ARG A 53 -1.305 0.741 -8.576 1.00 0.00 O ATOM 751 CB ARG A 53 -1.620 2.970 -6.000 1.00 0.00 C ATOM 752 CG ARG A 53 -2.957 2.249 -5.957 1.00 0.00 C ATOM 753 CD ARG A 53 -4.108 3.221 -5.751 1.00 0.00 C ATOM 754 NE ARG A 53 -3.982 3.962 -4.499 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.528 5.155 -4.293 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.235 5.739 -5.251 1.00 0.00 N ATOM 757 NH2 ARG A 53 -4.368 5.767 -3.126 1.00 0.00 N ATOM 0 H ARG A 53 0.525 4.035 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.253 1.358 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.230 3.055 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.775 3.984 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.105 1.700 -6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.950 1.515 -5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.144 3.922 -6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.050 2.673 -5.754 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.445 3.540 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.361 5.272 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.653 6.655 -5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.825 5.321 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.788 6.683 -2.969 1.00 0.00 H new ATOM 771 N ASN A 54 -1.587 2.936 -8.983 1.00 0.00 N ATOM 772 CA ASN A 54 -2.191 2.727 -10.294 1.00 0.00 C ATOM 773 C ASN A 54 -1.286 1.877 -11.181 1.00 0.00 C ATOM 774 O ASN A 54 -1.737 0.921 -11.810 1.00 0.00 O ATOM 775 CB ASN A 54 -2.471 4.071 -10.970 1.00 0.00 C ATOM 776 CG ASN A 54 -3.206 5.034 -10.058 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.006 4.623 -9.218 1.00 0.00 O ATOM 778 ND2 ASN A 54 -2.938 6.325 -10.222 1.00 0.00 N ATOM 0 H ASN A 54 -1.500 3.915 -8.710 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.133 2.196 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.529 4.520 -11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.062 3.906 -11.871 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.403 7.021 -9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.267 6.621 -10.931 1.00 0.00 H new ATOM 785 N ARG A 55 -0.006 2.234 -11.225 1.00 0.00 N ATOM 786 CA ARG A 55 0.962 1.505 -12.034 1.00 0.00 C ATOM 787 C ARG A 55 1.001 0.031 -11.641 1.00 0.00 C ATOM 788 O ARG A 55 1.060 -0.851 -12.498 1.00 0.00 O ATOM 789 CB ARG A 55 2.354 2.122 -11.881 1.00 0.00 C ATOM 790 CG ARG A 55 3.422 1.429 -12.711 1.00 0.00 C ATOM 791 CD ARG A 55 3.239 1.703 -14.196 1.00 0.00 C ATOM 792 NE ARG A 55 4.119 0.878 -15.018 1.00 0.00 N ATOM 793 CZ ARG A 55 4.321 1.084 -16.314 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.710 2.085 -16.933 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.137 0.290 -16.995 1.00 0.00 N ATOM 0 H ARG A 55 0.384 3.023 -10.710 1.00 0.00 H new ATOM 0 HA ARG A 55 0.653 1.576 -13.077 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.310 3.173 -12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.644 2.089 -10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.408 1.771 -12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.384 0.355 -12.531 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.202 1.515 -14.474 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.437 2.756 -14.397 1.00 0.00 H new ATOM 0 HE ARG A 55 4.606 0.100 -14.572 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.083 2.699 -16.413 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.867 2.241 -17.929 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.610 -0.480 -16.523 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.291 0.450 -17.991 1.00 0.00 H new ATOM 809 N THR A 56 0.968 -0.229 -10.337 1.00 0.00 N ATOM 810 CA THR A 56 1.001 -1.595 -9.829 1.00 0.00 C ATOM 811 C THR A 56 -0.166 -2.411 -10.371 1.00 0.00 C ATOM 812 O THR A 56 -0.015 -3.589 -10.699 1.00 0.00 O ATOM 813 CB THR A 56 0.962 -1.623 -8.290 1.00 0.00 C ATOM 814 OG1 THR A 56 2.119 -0.969 -7.758 1.00 0.00 O ATOM 815 CG2 THR A 56 0.900 -3.053 -7.776 1.00 0.00 C ATOM 0 H THR A 56 0.918 0.489 -9.614 1.00 0.00 H new ATOM 0 HA THR A 56 1.938 -2.036 -10.169 1.00 0.00 H new ATOM 0 HB THR A 56 0.065 -1.097 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.085 -0.015 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.873 -3.047 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.002 -3.538 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.780 -3.600 -8.114 1.00 0.00 H new ATOM 823 N LEU A 57 -1.331 -1.779 -10.465 1.00 0.00 N ATOM 824 CA LEU A 57 -2.526 -2.447 -10.968 1.00 0.00 C ATOM 825 C LEU A 57 -2.427 -2.680 -12.473 1.00 0.00 C ATOM 826 O LEU A 57 -2.627 -3.796 -12.952 1.00 0.00 O ATOM 827 CB LEU A 57 -3.771 -1.617 -10.650 1.00 0.00 C ATOM 828 CG LEU A 57 -4.362 -1.802 -9.252 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.190 -0.589 -8.858 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.206 -3.067 -9.193 1.00 0.00 C ATOM 0 H LEU A 57 -1.473 -0.805 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.606 -3.415 -10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.524 -0.564 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.541 -1.858 -11.383 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.541 -1.903 -8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.603 -0.739 -7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.558 0.299 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.004 -0.457 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.619 -3.183 -8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.020 -2.995 -9.914 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.585 -3.930 -9.431 1.00 0.00 H new ATOM 842 N GLN A 58 -2.114 -1.620 -13.211 1.00 0.00 N ATOM 843 CA GLN A 58 -1.987 -1.710 -14.661 1.00 0.00 C ATOM 844 C GLN A 58 -1.285 -3.002 -15.066 1.00 0.00 C ATOM 845 O GLN A 58 -1.829 -3.804 -15.827 1.00 0.00 O ATOM 846 CB GLN A 58 -1.215 -0.505 -15.202 1.00 0.00 C ATOM 847 CG GLN A 58 -2.104 0.673 -15.566 1.00 0.00 C ATOM 848 CD GLN A 58 -2.931 0.418 -16.810 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.118 0.103 -16.727 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.306 0.553 -17.974 1.00 0.00 N ATOM 0 H GLN A 58 -1.944 -0.690 -12.829 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.989 -1.713 -15.089 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.489 -0.184 -14.455 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.652 -0.811 -16.084 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.769 0.893 -14.731 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.485 1.556 -15.721 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.321 0.816 -17.996 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.811 0.394 -18.846 1.00 0.00 H new ATOM 859 N LEU A 59 -0.075 -3.198 -14.554 1.00 0.00 N ATOM 860 CA LEU A 59 0.702 -4.393 -14.863 1.00 0.00 C ATOM 861 C LEU A 59 -0.080 -5.656 -14.518 1.00 0.00 C ATOM 862 O LEU A 59 -0.006 -6.657 -15.230 1.00 0.00 O ATOM 863 CB LEU A 59 2.027 -4.375 -14.099 1.00 0.00 C ATOM 864 CG LEU A 59 2.830 -3.076 -14.177 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.979 -3.098 -13.181 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.350 -2.854 -15.589 1.00 0.00 C ATOM 0 H LEU A 59 0.389 -2.545 -13.923 1.00 0.00 H new ATOM 0 HA LEU A 59 0.907 -4.396 -15.934 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.821 -4.589 -13.050 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.650 -5.187 -14.474 1.00 0.00 H new ATOM 0 HG LEU A 59 2.170 -2.248 -13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.539 -2.166 -13.251 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.583 -3.209 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.639 -3.936 -13.406 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.919 -1.925 -15.625 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.994 -3.686 -15.874 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.510 -2.792 -16.281 1.00 0.00 H new ATOM 878 N TRP A 60 -0.831 -5.599 -13.424 1.00 0.00 N ATOM 879 CA TRP A 60 -1.630 -6.738 -12.986 1.00 0.00 C ATOM 880 C TRP A 60 -2.771 -7.010 -13.960 1.00 0.00 C ATOM 881 O TRP A 60 -3.082 -8.163 -14.261 1.00 0.00 O ATOM 882 CB TRP A 60 -2.188 -6.487 -11.584 1.00 0.00 C ATOM 883 CG TRP A 60 -3.475 -7.209 -11.319 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.735 -6.685 -11.377 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.626 -8.585 -10.954 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.660 -7.653 -11.068 1.00 0.00 N ATOM 887 CE2 TRP A 60 -5.006 -8.827 -10.806 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.731 -9.636 -10.739 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.508 -10.077 -10.452 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -3.230 -10.875 -10.388 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.608 -11.088 -10.248 1.00 0.00 C ATOM 0 H TRP A 60 -0.903 -4.777 -12.824 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.983 -7.615 -12.960 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.448 -6.795 -10.846 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.346 -5.417 -11.450 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.970 -5.661 -11.629 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.671 -7.519 -11.039 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.667 -9.482 -10.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.570 -10.243 -10.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.546 -11.694 -10.218 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.967 -12.069 -9.974 1.00 0.00 H new ATOM 902 N LEU A 61 -3.391 -5.943 -14.451 1.00 0.00 N ATOM 903 CA LEU A 61 -4.498 -6.066 -15.392 1.00 0.00 C ATOM 904 C LEU A 61 -3.996 -6.478 -16.773 1.00 0.00 C ATOM 905 O LEU A 61 -4.722 -7.098 -17.549 1.00 0.00 O ATOM 906 CB LEU A 61 -5.262 -4.745 -15.488 1.00 0.00 C ATOM 907 CG LEU A 61 -6.365 -4.531 -14.451 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.826 -3.081 -14.453 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.537 -5.465 -14.718 1.00 0.00 C ATOM 0 H LEU A 61 -3.146 -4.982 -14.213 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.170 -6.841 -15.024 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.546 -3.927 -15.402 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.706 -4.677 -16.481 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.960 -4.761 -13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.611 -2.948 -13.709 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.984 -2.431 -14.213 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.213 -2.824 -15.439 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.312 -5.299 -13.970 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.941 -5.267 -15.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.197 -6.499 -14.665 1.00 0.00 H new ATOM 921 N ASP A 62 -2.749 -6.129 -17.071 1.00 0.00 N ATOM 922 CA ASP A 62 -2.148 -6.465 -18.356 1.00 0.00 C ATOM 923 C ASP A 62 -1.526 -7.857 -18.319 1.00 0.00 C ATOM 924 O ASP A 62 -1.536 -8.579 -19.315 1.00 0.00 O ATOM 925 CB ASP A 62 -1.087 -5.429 -18.733 1.00 0.00 C ATOM 926 CG ASP A 62 -0.413 -5.745 -20.054 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.130 -6.070 -21.023 1.00 0.00 O ATOM 928 OD2 ASP A 62 0.832 -5.669 -20.118 1.00 0.00 O ATOM 0 H ASP A 62 -2.135 -5.614 -16.440 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.936 -6.459 -19.110 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.550 -4.444 -18.791 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.334 -5.382 -17.946 1.00 0.00 H new ATOM 933 N ASN A 63 -0.985 -8.227 -17.162 1.00 0.00 N ATOM 934 CA ASN A 63 -0.356 -9.532 -16.995 1.00 0.00 C ATOM 935 C ASN A 63 -0.893 -10.239 -15.755 1.00 0.00 C ATOM 936 O ASN A 63 -0.139 -10.705 -14.900 1.00 0.00 O ATOM 937 CB ASN A 63 1.163 -9.381 -16.893 1.00 0.00 C ATOM 938 CG ASN A 63 1.900 -10.623 -17.355 1.00 0.00 C ATOM 939 OD1 ASN A 63 2.878 -10.538 -18.097 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.432 -11.786 -16.917 1.00 0.00 N ATOM 0 H ASN A 63 -0.970 -7.641 -16.327 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.595 -10.137 -17.869 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.482 -8.529 -17.493 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.435 -9.163 -15.860 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.887 -12.656 -17.195 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.618 -11.809 -16.303 1.00 0.00 H new ATOM 947 N PRO A 64 -2.228 -10.323 -15.652 1.00 0.00 N ATOM 948 CA PRO A 64 -2.896 -10.973 -14.521 1.00 0.00 C ATOM 949 C PRO A 64 -2.703 -12.486 -14.524 1.00 0.00 C ATOM 950 O PRO A 64 -3.051 -13.169 -13.561 1.00 0.00 O ATOM 951 CB PRO A 64 -4.371 -10.621 -14.730 1.00 0.00 C ATOM 952 CG PRO A 64 -4.499 -10.381 -16.194 1.00 0.00 C ATOM 953 CD PRO A 64 -3.188 -9.790 -16.633 1.00 0.00 C ATOM 0 HA PRO A 64 -2.495 -10.638 -13.564 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.022 -11.432 -14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.652 -9.737 -14.158 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.706 -11.310 -16.725 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.324 -9.702 -16.407 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.932 -10.090 -17.649 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.214 -8.700 -16.619 1.00 0.00 H new ATOM 961 N LYS A 65 -2.148 -13.004 -15.614 1.00 0.00 N ATOM 962 CA LYS A 65 -1.906 -14.436 -15.744 1.00 0.00 C ATOM 963 C LYS A 65 -0.824 -14.896 -14.772 1.00 0.00 C ATOM 964 O LYS A 65 -0.657 -16.093 -14.537 1.00 0.00 O ATOM 965 CB LYS A 65 -1.497 -14.777 -17.179 1.00 0.00 C ATOM 966 CG LYS A 65 -0.284 -14.004 -17.665 1.00 0.00 C ATOM 967 CD LYS A 65 0.511 -14.800 -18.688 1.00 0.00 C ATOM 968 CE LYS A 65 1.842 -14.134 -19.000 1.00 0.00 C ATOM 969 NZ LYS A 65 2.540 -14.795 -20.137 1.00 0.00 N ATOM 0 H LYS A 65 -1.857 -12.453 -16.421 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.832 -14.959 -15.503 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.287 -15.845 -17.244 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.336 -14.576 -17.845 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.605 -13.061 -18.106 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.355 -13.758 -16.817 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.687 -15.807 -18.310 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.071 -14.900 -19.604 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.675 -13.083 -19.238 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.479 -14.164 -18.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.443 -14.312 -20.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.722 -15.791 -19.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.943 -14.744 -20.987 1.00 0.00 H new ATOM 983 N ILE A 66 -0.094 -13.938 -14.211 1.00 0.00 N ATOM 984 CA ILE A 66 0.970 -14.246 -13.263 1.00 0.00 C ATOM 985 C ILE A 66 0.918 -13.314 -12.057 1.00 0.00 C ATOM 986 O ILE A 66 0.552 -12.145 -12.179 1.00 0.00 O ATOM 987 CB ILE A 66 2.358 -14.138 -13.921 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.749 -12.670 -14.102 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.368 -14.863 -15.259 1.00 0.00 C ATOM 990 CD1 ILE A 66 4.149 -12.479 -14.642 1.00 0.00 C ATOM 0 H ILE A 66 -0.220 -12.943 -14.396 1.00 0.00 H new ATOM 0 HA ILE A 66 0.812 -15.273 -12.933 1.00 0.00 H new ATOM 0 HB ILE A 66 3.091 -14.611 -13.267 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.039 -12.194 -14.779 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.666 -12.159 -13.143 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.356 -14.778 -15.712 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.129 -15.915 -15.104 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.626 -14.416 -15.921 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.357 -11.414 -14.744 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.868 -12.925 -13.955 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.232 -12.960 -15.616 1.00 0.00 H new ATOM 1002 N GLN A 67 1.288 -13.840 -10.894 1.00 0.00 N ATOM 1003 CA GLN A 67 1.284 -13.055 -9.665 1.00 0.00 C ATOM 1004 C GLN A 67 2.205 -11.846 -9.789 1.00 0.00 C ATOM 1005 O GLN A 67 3.148 -11.849 -10.582 1.00 0.00 O ATOM 1006 CB GLN A 67 1.716 -13.920 -8.480 1.00 0.00 C ATOM 1007 CG GLN A 67 3.221 -14.097 -8.373 1.00 0.00 C ATOM 1008 CD GLN A 67 3.839 -14.628 -9.652 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.627 -15.781 -10.025 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.610 -13.786 -10.331 1.00 0.00 N ATOM 0 H GLN A 67 1.594 -14.806 -10.777 1.00 0.00 H new ATOM 0 HA GLN A 67 0.268 -12.700 -9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.345 -13.471 -7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.248 -14.901 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.679 -13.140 -8.123 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.445 -14.781 -7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.759 -12.838 -9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.053 -14.087 -11.199 1.00 0.00 H new ATOM 1019 N LEU A 68 1.926 -10.813 -9.002 1.00 0.00 N ATOM 1020 CA LEU A 68 2.730 -9.596 -9.024 1.00 0.00 C ATOM 1021 C LEU A 68 3.549 -9.461 -7.744 1.00 0.00 C ATOM 1022 O LEU A 68 3.002 -9.225 -6.665 1.00 0.00 O ATOM 1023 CB LEU A 68 1.832 -8.370 -9.200 1.00 0.00 C ATOM 1024 CG LEU A 68 2.537 -7.070 -9.586 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.200 -7.206 -10.948 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.554 -5.908 -9.583 1.00 0.00 C ATOM 0 H LEU A 68 1.149 -10.794 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 68 3.417 -9.660 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.088 -8.597 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.292 -8.204 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 68 3.311 -6.866 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.697 -6.271 -11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.935 -8.010 -10.916 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.444 -7.435 -11.699 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.074 -4.991 -9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.757 -6.104 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.126 -5.796 -8.587 1.00 0.00 H new ATOM 1038 N THR A 69 4.864 -9.609 -7.869 1.00 0.00 N ATOM 1039 CA THR A 69 5.758 -9.503 -6.723 1.00 0.00 C ATOM 1040 C THR A 69 6.210 -8.063 -6.511 1.00 0.00 C ATOM 1041 O THR A 69 5.918 -7.184 -7.321 1.00 0.00 O ATOM 1042 CB THR A 69 6.999 -10.399 -6.894 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.806 -9.917 -7.975 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.593 -11.841 -7.161 1.00 0.00 C ATOM 0 H THR A 69 5.334 -9.803 -8.753 1.00 0.00 H new ATOM 0 HA THR A 69 5.196 -9.837 -5.851 1.00 0.00 H new ATOM 0 HB THR A 69 7.574 -10.366 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.594 -10.491 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.486 -12.455 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.004 -12.214 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.998 -11.889 -8.073 1.00 0.00 H new ATOM 1052 N PHE A 70 6.926 -7.828 -5.416 1.00 0.00 N ATOM 1053 CA PHE A 70 7.418 -6.493 -5.096 1.00 0.00 C ATOM 1054 C PHE A 70 8.497 -6.061 -6.085 1.00 0.00 C ATOM 1055 O PHE A 70 8.508 -4.921 -6.547 1.00 0.00 O ATOM 1056 CB PHE A 70 7.974 -6.459 -3.671 1.00 0.00 C ATOM 1057 CG PHE A 70 8.918 -5.318 -3.422 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.437 -4.069 -3.061 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.286 -5.493 -3.550 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.304 -3.017 -2.832 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.158 -4.445 -3.322 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.666 -3.206 -2.962 1.00 0.00 C ATOM 0 H PHE A 70 7.178 -8.545 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 70 6.582 -5.797 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.144 -6.393 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.490 -7.398 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.373 -3.916 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.676 -6.460 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.917 -2.048 -2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.223 -4.595 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.345 -2.386 -2.782 1.00 0.00 H new ATOM 1072 N GLU A 71 9.403 -6.980 -6.402 1.00 0.00 N ATOM 1073 CA GLU A 71 10.487 -6.694 -7.335 1.00 0.00 C ATOM 1074 C GLU A 71 9.938 -6.260 -8.691 1.00 0.00 C ATOM 1075 O GLU A 71 10.223 -5.161 -9.165 1.00 0.00 O ATOM 1076 CB GLU A 71 11.383 -7.923 -7.504 1.00 0.00 C ATOM 1077 CG GLU A 71 12.364 -8.124 -6.361 1.00 0.00 C ATOM 1078 CD GLU A 71 13.633 -8.829 -6.798 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.381 -8.252 -7.615 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.877 -9.958 -6.324 1.00 0.00 O ATOM 0 H GLU A 71 9.408 -7.929 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 71 11.079 -5.876 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.756 -8.810 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.939 -7.831 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.620 -7.155 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.884 -8.704 -5.573 1.00 0.00 H new ATOM 1087 N ALA A 72 9.151 -7.133 -9.310 1.00 0.00 N ATOM 1088 CA ALA A 72 8.560 -6.841 -10.610 1.00 0.00 C ATOM 1089 C ALA A 72 7.991 -5.427 -10.650 1.00 0.00 C ATOM 1090 O ALA A 72 8.410 -4.599 -11.460 1.00 0.00 O ATOM 1091 CB ALA A 72 7.477 -7.857 -10.939 1.00 0.00 C ATOM 0 H ALA A 72 8.908 -8.049 -8.932 1.00 0.00 H new ATOM 0 HA ALA A 72 9.347 -6.909 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.045 -7.626 -11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.911 -8.857 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.698 -7.818 -10.178 1.00 0.00 H new ATOM 1097 N THR A 73 7.033 -5.154 -9.769 1.00 0.00 N ATOM 1098 CA THR A 73 6.405 -3.841 -9.705 1.00 0.00 C ATOM 1099 C THR A 73 7.451 -2.731 -9.700 1.00 0.00 C ATOM 1100 O THR A 73 7.287 -1.707 -10.363 1.00 0.00 O ATOM 1101 CB THR A 73 5.520 -3.702 -8.451 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.569 -4.772 -8.403 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.790 -2.367 -8.449 1.00 0.00 C ATOM 0 H THR A 73 6.675 -5.826 -9.090 1.00 0.00 H new ATOM 0 HA THR A 73 5.781 -3.745 -10.594 1.00 0.00 H new ATOM 0 HB THR A 73 6.163 -3.747 -7.572 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.992 -5.568 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.172 -2.292 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.517 -1.555 -8.457 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.158 -2.297 -9.334 1.00 0.00 H new ATOM 1111 N LEU A 74 8.526 -2.941 -8.948 1.00 0.00 N ATOM 1112 CA LEU A 74 9.600 -1.958 -8.858 1.00 0.00 C ATOM 1113 C LEU A 74 10.336 -1.832 -10.188 1.00 0.00 C ATOM 1114 O LEU A 74 10.418 -0.746 -10.761 1.00 0.00 O ATOM 1115 CB LEU A 74 10.583 -2.349 -7.753 1.00 0.00 C ATOM 1116 CG LEU A 74 11.906 -1.582 -7.731 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.772 -0.309 -6.910 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.021 -2.459 -7.180 1.00 0.00 C ATOM 0 H LEU A 74 8.677 -3.783 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 74 9.156 -0.992 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.090 -2.212 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.804 -3.412 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 74 12.160 -1.305 -8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.723 0.223 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.002 0.327 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.494 -0.563 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.955 -1.897 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.773 -2.767 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.134 -3.342 -7.809 1.00 0.00 H new ATOM 1130 N GLN A 75 10.867 -2.949 -10.673 1.00 0.00 N ATOM 1131 CA GLN A 75 11.594 -2.962 -11.937 1.00 0.00 C ATOM 1132 C GLN A 75 10.824 -2.209 -13.016 1.00 0.00 C ATOM 1133 O GLN A 75 11.371 -1.333 -13.685 1.00 0.00 O ATOM 1134 CB GLN A 75 11.851 -4.402 -12.387 1.00 0.00 C ATOM 1135 CG GLN A 75 12.754 -5.182 -11.445 1.00 0.00 C ATOM 1136 CD GLN A 75 14.214 -4.798 -11.585 1.00 0.00 C ATOM 1137 OE1 GLN A 75 14.867 -5.143 -12.570 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.734 -4.079 -10.597 1.00 0.00 N ATOM 0 H GLN A 75 10.808 -3.856 -10.211 1.00 0.00 H new ATOM 0 HA GLN A 75 12.550 -2.461 -11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.897 -4.922 -12.476 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.300 -4.389 -13.380 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.434 -5.011 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.642 -6.248 -11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.156 -3.815 -9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.712 -3.791 -10.636 1.00 0.00 H new ATOM 1147 N GLN A 76 9.551 -2.557 -13.180 1.00 0.00 N ATOM 1148 CA GLN A 76 8.707 -1.914 -14.179 1.00 0.00 C ATOM 1149 C GLN A 76 8.510 -0.436 -13.857 1.00 0.00 C ATOM 1150 O GLN A 76 8.537 0.414 -14.748 1.00 0.00 O ATOM 1151 CB GLN A 76 7.350 -2.615 -14.259 1.00 0.00 C ATOM 1152 CG GLN A 76 7.441 -4.069 -14.691 1.00 0.00 C ATOM 1153 CD GLN A 76 6.189 -4.857 -14.360 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.360 -5.122 -15.230 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.045 -5.235 -13.095 1.00 0.00 N ATOM 0 H GLN A 76 9.083 -3.280 -12.634 1.00 0.00 H new ATOM 0 HA GLN A 76 9.207 -1.993 -15.144 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.866 -2.564 -13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.713 -2.076 -14.960 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.620 -4.114 -15.765 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.298 -4.535 -14.205 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.758 -4.993 -12.406 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.222 -5.767 -12.812 1.00 0.00 H new ATOM 1164 N LEU A 77 8.313 -0.136 -12.578 1.00 0.00 N ATOM 1165 CA LEU A 77 8.112 1.240 -12.137 1.00 0.00 C ATOM 1166 C LEU A 77 9.207 2.152 -12.681 1.00 0.00 C ATOM 1167 O LEU A 77 10.250 1.682 -13.134 1.00 0.00 O ATOM 1168 CB LEU A 77 8.087 1.308 -10.609 1.00 0.00 C ATOM 1169 CG LEU A 77 6.708 1.214 -9.955 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.827 0.685 -8.534 1.00 0.00 C ATOM 1171 CD2 LEU A 77 6.019 2.570 -9.966 1.00 0.00 C ATOM 0 H LEU A 77 8.288 -0.827 -11.828 1.00 0.00 H new ATOM 0 HA LEU A 77 7.153 1.584 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.707 0.501 -10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.551 2.245 -10.299 1.00 0.00 H new ATOM 0 HG LEU A 77 6.100 0.516 -10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.836 0.625 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.278 -0.307 -8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.452 1.358 -7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.039 2.484 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.624 3.290 -9.414 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.900 2.909 -10.995 1.00 0.00 H new ATOM 1183 N GLU A 78 8.963 3.458 -12.630 1.00 0.00 N ATOM 1184 CA GLU A 78 9.930 4.435 -13.116 1.00 0.00 C ATOM 1185 C GLU A 78 10.066 5.599 -12.139 1.00 0.00 C ATOM 1186 O GLU A 78 9.084 6.265 -11.810 1.00 0.00 O ATOM 1187 CB GLU A 78 9.513 4.956 -14.493 1.00 0.00 C ATOM 1188 CG GLU A 78 8.133 5.592 -14.510 1.00 0.00 C ATOM 1189 CD GLU A 78 7.786 6.197 -15.857 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.261 5.669 -16.884 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.040 7.198 -15.884 1.00 0.00 O ATOM 0 H GLU A 78 8.104 3.863 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 78 10.897 3.940 -13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.246 5.688 -14.832 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.533 4.131 -15.206 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.387 4.840 -14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.085 6.367 -13.745 1.00 0.00 H new ATOM 1198 N ALA A 79 11.289 5.837 -11.678 1.00 0.00 N ATOM 1199 CA ALA A 79 11.555 6.920 -10.740 1.00 0.00 C ATOM 1200 C ALA A 79 10.859 8.206 -11.174 1.00 0.00 C ATOM 1201 O ALA A 79 10.437 8.354 -12.321 1.00 0.00 O ATOM 1202 CB ALA A 79 13.053 7.148 -10.606 1.00 0.00 C ATOM 0 H ALA A 79 12.112 5.294 -11.939 1.00 0.00 H new ATOM 0 HA ALA A 79 11.155 6.631 -9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.236 7.960 -9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.528 6.237 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.470 7.410 -11.579 1.00 0.00 H new ATOM 1208 N PRO A 80 10.734 9.158 -10.238 1.00 0.00 N ATOM 1209 CA PRO A 80 11.232 8.992 -8.869 1.00 0.00 C ATOM 1210 C PRO A 80 10.422 7.970 -8.078 1.00 0.00 C ATOM 1211 O PRO A 80 10.738 7.671 -6.926 1.00 0.00 O ATOM 1212 CB PRO A 80 11.071 10.387 -8.261 1.00 0.00 C ATOM 1213 CG PRO A 80 9.976 11.019 -9.049 1.00 0.00 C ATOM 1214 CD PRO A 80 10.097 10.469 -10.443 1.00 0.00 C ATOM 0 HA PRO A 80 12.256 8.620 -8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.816 10.331 -7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.995 10.961 -8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.002 10.785 -8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.072 12.105 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.123 10.372 -10.923 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.702 11.115 -11.079 1.00 0.00 H new ATOM 1222 N TYR A 81 9.378 7.438 -8.703 1.00 0.00 N ATOM 1223 CA TYR A 81 8.522 6.450 -8.056 1.00 0.00 C ATOM 1224 C TYR A 81 9.346 5.291 -7.506 1.00 0.00 C ATOM 1225 O TYR A 81 9.332 5.018 -6.306 1.00 0.00 O ATOM 1226 CB TYR A 81 7.477 5.925 -9.043 1.00 0.00 C ATOM 1227 CG TYR A 81 6.839 7.009 -9.882 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.508 8.239 -9.328 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.566 6.802 -11.229 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.924 9.232 -10.091 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.984 7.789 -11.999 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.664 9.002 -11.426 1.00 0.00 C ATOM 1233 OH TYR A 81 5.082 9.988 -12.190 1.00 0.00 O ATOM 0 H TYR A 81 9.104 7.674 -9.657 1.00 0.00 H new ATOM 0 HA TYR A 81 8.014 6.937 -7.224 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.947 5.196 -9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.698 5.400 -8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.711 8.422 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.813 5.853 -11.681 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.673 10.183 -9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.780 7.612 -13.045 1.00 0.00 H new ATOM 0 HH TYR A 81 4.203 9.686 -12.500 1.00 0.00 H new ATOM 1243 N ASN A 82 10.066 4.612 -8.393 1.00 0.00 N ATOM 1244 CA ASN A 82 10.898 3.481 -7.998 1.00 0.00 C ATOM 1245 C ASN A 82 12.050 3.938 -7.108 1.00 0.00 C ATOM 1246 O ASN A 82 12.634 3.142 -6.373 1.00 0.00 O ATOM 1247 CB ASN A 82 11.447 2.768 -9.236 1.00 0.00 C ATOM 1248 CG ASN A 82 12.305 3.678 -10.094 1.00 0.00 C ATOM 1249 OD1 ASN A 82 12.723 4.750 -9.656 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.572 3.252 -11.323 1.00 0.00 N ATOM 0 H ASN A 82 10.090 4.825 -9.390 1.00 0.00 H new ATOM 0 HA ASN A 82 10.278 2.786 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.036 1.906 -8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.617 2.388 -9.831 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.145 3.820 -11.947 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.204 2.356 -11.643 1.00 0.00 H new ATOM 1257 N SER A 83 12.371 5.226 -7.179 1.00 0.00 N ATOM 1258 CA SER A 83 13.454 5.789 -6.382 1.00 0.00 C ATOM 1259 C SER A 83 13.298 5.416 -4.911 1.00 0.00 C ATOM 1260 O SER A 83 14.255 4.996 -4.260 1.00 0.00 O ATOM 1261 CB SER A 83 13.489 7.311 -6.533 1.00 0.00 C ATOM 1262 OG SER A 83 14.732 7.838 -6.101 1.00 0.00 O ATOM 0 H SER A 83 11.896 5.899 -7.781 1.00 0.00 H new ATOM 0 HA SER A 83 14.393 5.373 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.319 7.580 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.680 7.756 -5.953 1.00 0.00 H new ATOM 0 HG SER A 83 14.730 8.812 -6.209 1.00 0.00 H new ATOM 1268 N ASP A 84 12.084 5.572 -4.394 1.00 0.00 N ATOM 1269 CA ASP A 84 11.800 5.251 -3.000 1.00 0.00 C ATOM 1270 C ASP A 84 11.179 3.863 -2.878 1.00 0.00 C ATOM 1271 O ASP A 84 9.956 3.716 -2.871 1.00 0.00 O ATOM 1272 CB ASP A 84 10.863 6.297 -2.394 1.00 0.00 C ATOM 1273 CG ASP A 84 11.574 7.600 -2.085 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.274 8.121 -2.978 1.00 0.00 O ATOM 1275 OD2 ASP A 84 11.429 8.099 -0.949 1.00 0.00 O ATOM 0 H ASP A 84 11.281 5.919 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 84 12.742 5.258 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.042 6.489 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.423 5.900 -1.479 1.00 0.00 H new ATOM 1280 N THR A 85 12.029 2.845 -2.784 1.00 0.00 N ATOM 1281 CA THR A 85 11.565 1.469 -2.665 1.00 0.00 C ATOM 1282 C THR A 85 10.610 1.311 -1.487 1.00 0.00 C ATOM 1283 O THR A 85 9.575 0.654 -1.597 1.00 0.00 O ATOM 1284 CB THR A 85 12.743 0.492 -2.491 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.654 0.992 -1.506 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.475 0.287 -3.809 1.00 0.00 C ATOM 0 H THR A 85 13.044 2.948 -2.788 1.00 0.00 H new ATOM 0 HA THR A 85 11.039 1.231 -3.590 1.00 0.00 H new ATOM 0 HB THR A 85 12.344 -0.468 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.399 0.364 -1.401 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.303 -0.407 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.786 -0.122 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.861 1.243 -4.163 1.00 0.00 H new ATOM 1294 N VAL A 86 10.964 1.918 -0.358 1.00 0.00 N ATOM 1295 CA VAL A 86 10.138 1.846 0.840 1.00 0.00 C ATOM 1296 C VAL A 86 8.671 2.105 0.513 1.00 0.00 C ATOM 1297 O VAL A 86 7.778 1.451 1.054 1.00 0.00 O ATOM 1298 CB VAL A 86 10.601 2.860 1.903 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.139 4.263 1.542 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.091 2.459 3.279 1.00 0.00 C ATOM 0 H VAL A 86 11.818 2.465 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 86 10.246 0.837 1.238 1.00 0.00 H new ATOM 0 HB VAL A 86 11.691 2.859 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.476 4.965 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.559 4.547 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.051 4.284 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.427 3.186 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.001 2.429 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.478 1.473 3.538 1.00 0.00 H new ATOM 1310 N LEU A 87 8.429 3.062 -0.376 1.00 0.00 N ATOM 1311 CA LEU A 87 7.070 3.408 -0.777 1.00 0.00 C ATOM 1312 C LEU A 87 6.444 2.288 -1.602 1.00 0.00 C ATOM 1313 O LEU A 87 5.303 1.892 -1.366 1.00 0.00 O ATOM 1314 CB LEU A 87 7.069 4.710 -1.580 1.00 0.00 C ATOM 1315 CG LEU A 87 5.775 5.522 -1.541 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.451 5.943 -0.116 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.881 6.739 -2.448 1.00 0.00 C ATOM 0 H LEU A 87 9.156 3.612 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 87 6.475 3.545 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.880 5.339 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.294 4.472 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 87 4.963 4.892 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.526 6.520 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.331 5.057 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.264 6.554 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.950 7.305 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.705 7.370 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.064 6.415 -3.472 1.00 0.00 H new ATOM 1329 N VAL A 88 7.200 1.780 -2.570 1.00 0.00 N ATOM 1330 CA VAL A 88 6.722 0.703 -3.429 1.00 0.00 C ATOM 1331 C VAL A 88 6.397 -0.545 -2.615 1.00 0.00 C ATOM 1332 O VAL A 88 5.489 -1.303 -2.958 1.00 0.00 O ATOM 1333 CB VAL A 88 7.759 0.343 -4.508 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.244 -0.786 -5.388 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.105 1.566 -5.344 1.00 0.00 C ATOM 0 H VAL A 88 8.147 2.097 -2.779 1.00 0.00 H new ATOM 0 HA VAL A 88 5.815 1.064 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 88 8.668 0.001 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.990 -1.027 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.052 -1.666 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.320 -0.475 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.839 1.293 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.204 1.941 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.519 2.342 -4.700 1.00 0.00 H new ATOM 1345 N HIS A 89 7.144 -0.752 -1.536 1.00 0.00 N ATOM 1346 CA HIS A 89 6.935 -1.909 -0.672 1.00 0.00 C ATOM 1347 C HIS A 89 5.659 -1.749 0.151 1.00 0.00 C ATOM 1348 O HIS A 89 4.916 -2.709 0.355 1.00 0.00 O ATOM 1349 CB HIS A 89 8.133 -2.101 0.257 1.00 0.00 C ATOM 1350 CG HIS A 89 8.182 -3.453 0.900 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.230 -3.897 1.793 1.00 0.00 N ATOM 1352 CD2 HIS A 89 9.076 -4.462 0.773 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.536 -5.120 2.189 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.652 -5.486 1.584 1.00 0.00 N ATOM 0 H HIS A 89 7.899 -0.134 -1.239 1.00 0.00 H new ATOM 0 HA HIS A 89 6.831 -2.790 -1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.051 -1.944 -0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.105 -1.338 1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.958 -4.462 0.150 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.970 -5.718 2.888 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.122 -6.384 1.700 1.00 0.00 H new ATOM 1363 N ARG A 90 5.413 -0.530 0.620 1.00 0.00 N ATOM 1364 CA ARG A 90 4.229 -0.245 1.422 1.00 0.00 C ATOM 1365 C ARG A 90 2.976 -0.221 0.551 1.00 0.00 C ATOM 1366 O ARG A 90 1.967 -0.846 0.879 1.00 0.00 O ATOM 1367 CB ARG A 90 4.387 1.093 2.146 1.00 0.00 C ATOM 1368 CG ARG A 90 5.412 1.062 3.267 1.00 0.00 C ATOM 1369 CD ARG A 90 6.047 2.428 3.479 1.00 0.00 C ATOM 1370 NE ARG A 90 6.424 2.645 4.873 1.00 0.00 N ATOM 1371 CZ ARG A 90 7.363 1.943 5.498 1.00 0.00 C ATOM 1372 NH1 ARG A 90 8.016 0.985 4.857 1.00 0.00 N ATOM 1373 NH2 ARG A 90 7.650 2.200 6.768 1.00 0.00 N ATOM 0 H ARG A 90 6.017 0.276 0.459 1.00 0.00 H new ATOM 0 HA ARG A 90 4.121 -1.039 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.675 1.856 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.422 1.391 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.934 0.735 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.187 0.332 3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.930 2.520 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.349 3.205 3.167 1.00 0.00 H new ATOM 0 HE ARG A 90 5.940 3.375 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.798 0.785 3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.736 0.448 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.150 2.937 7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.371 1.661 7.247 1.00 0.00 H new ATOM 1387 N VAL A 91 3.048 0.507 -0.559 1.00 0.00 N ATOM 1388 CA VAL A 91 1.920 0.613 -1.477 1.00 0.00 C ATOM 1389 C VAL A 91 1.504 -0.758 -1.998 1.00 0.00 C ATOM 1390 O VAL A 91 0.351 -1.166 -1.855 1.00 0.00 O ATOM 1391 CB VAL A 91 2.254 1.525 -2.673 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.092 1.565 -3.654 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.607 2.924 -2.193 1.00 0.00 C ATOM 0 H VAL A 91 3.875 1.032 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 91 1.095 1.050 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 91 3.121 1.115 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.346 2.214 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.892 0.559 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.205 1.951 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.840 3.555 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.761 3.347 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.473 2.874 -1.533 1.00 0.00 H new ATOM 1403 N HIS A 92 2.452 -1.467 -2.604 1.00 0.00 N ATOM 1404 CA HIS A 92 2.184 -2.795 -3.146 1.00 0.00 C ATOM 1405 C HIS A 92 1.530 -3.688 -2.097 1.00 0.00 C ATOM 1406 O HIS A 92 0.741 -4.574 -2.427 1.00 0.00 O ATOM 1407 CB HIS A 92 3.480 -3.437 -3.642 1.00 0.00 C ATOM 1408 CG HIS A 92 3.266 -4.711 -4.400 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.103 -5.934 -3.785 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.187 -4.947 -5.730 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.934 -6.867 -4.704 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.980 -6.295 -5.893 1.00 0.00 N ATOM 0 H HIS A 92 3.411 -1.145 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 92 1.496 -2.686 -3.985 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.006 -2.728 -4.281 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.127 -3.636 -2.788 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.112 -6.093 -2.778 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.271 -4.212 -6.517 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.784 -7.920 -4.515 1.00 0.00 H new ATOM 1421 N SER A 93 1.863 -3.450 -0.832 1.00 0.00 N ATOM 1422 CA SER A 93 1.310 -4.236 0.265 1.00 0.00 C ATOM 1423 C SER A 93 -0.176 -3.946 0.446 1.00 0.00 C ATOM 1424 O SER A 93 -1.014 -4.841 0.330 1.00 0.00 O ATOM 1425 CB SER A 93 2.062 -3.937 1.563 1.00 0.00 C ATOM 1426 OG SER A 93 3.185 -4.788 1.710 1.00 0.00 O ATOM 0 H SER A 93 2.513 -2.719 -0.542 1.00 0.00 H new ATOM 0 HA SER A 93 1.428 -5.291 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.387 -2.897 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.392 -4.065 2.413 1.00 0.00 H new ATOM 0 HG SER A 93 3.970 -4.367 1.301 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.497 -2.689 0.732 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.882 -2.280 0.933 1.00 0.00 C ATOM 1434 C TYR A 94 -2.784 -2.860 -0.152 1.00 0.00 C ATOM 1435 O TYR A 94 -3.934 -3.216 0.105 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.989 -0.754 0.939 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.328 -0.239 0.461 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.613 -0.140 -0.895 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.309 0.146 1.367 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.835 0.331 -1.335 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.534 0.616 0.935 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.792 0.707 -0.417 1.00 0.00 C ATOM 1443 OH TYR A 94 -7.011 1.175 -0.851 1.00 0.00 O ATOM 0 H TYR A 94 0.183 -1.935 0.830 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.212 -2.665 1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.809 -0.390 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.203 -0.341 0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.867 -0.436 -1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.110 0.077 2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.039 0.404 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.286 0.911 1.652 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.571 1.395 -0.078 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.253 -2.953 -1.366 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.008 -3.490 -2.493 1.00 0.00 C ATOM 1455 C LEU A 95 -3.200 -4.997 -2.350 1.00 0.00 C ATOM 1456 O LEU A 95 -4.326 -5.479 -2.227 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.291 -3.179 -3.808 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.291 -1.712 -4.241 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.243 -1.474 -5.317 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.670 -1.303 -4.737 1.00 0.00 C ATOM 0 H LEU A 95 -1.302 -2.663 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.989 -3.015 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.257 -3.512 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.752 -3.771 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.041 -1.097 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.257 -0.425 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.257 -1.728 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.462 -2.098 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.652 -0.256 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.949 -1.923 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.399 -1.436 -3.937 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.094 -5.734 -2.364 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.142 -7.185 -2.235 1.00 0.00 C ATOM 1474 C GLU A 96 -2.786 -7.592 -0.913 1.00 0.00 C ATOM 1475 O GLU A 96 -3.797 -8.295 -0.893 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.734 -7.775 -2.331 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.700 -9.290 -2.222 1.00 0.00 C ATOM 1478 CD GLU A 96 -1.218 -9.791 -0.888 1.00 0.00 C ATOM 1479 OE1 GLU A 96 -0.734 -9.306 0.156 1.00 0.00 O ATOM 1480 OE2 GLU A 96 -2.107 -10.668 -0.888 1.00 0.00 O ATOM 0 H GLU A 96 -1.154 -5.350 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.749 -7.577 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.288 -7.477 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.116 -7.348 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.298 -9.722 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.323 -9.638 -2.364 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.193 -7.146 0.190 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.707 -7.465 1.516 1.00 0.00 C ATOM 1489 C ARG A 97 -4.228 -7.346 1.553 1.00 0.00 C ATOM 1490 O ARG A 97 -4.920 -8.248 2.027 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.087 -6.538 2.563 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.677 -6.934 2.970 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.676 -8.202 3.810 1.00 0.00 C ATOM 1494 NE ARG A 97 -0.554 -9.403 2.988 1.00 0.00 N ATOM 1495 CZ ARG A 97 -0.317 -10.612 3.484 1.00 0.00 C ATOM 1496 NH1 ARG A 97 -0.178 -10.780 4.792 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -0.220 -11.657 2.672 1.00 0.00 N ATOM 0 H ARG A 97 -1.356 -6.563 0.191 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.435 -8.495 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.071 -5.521 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.722 -6.528 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.069 -7.086 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.218 -6.122 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.149 -8.165 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.597 -8.253 4.391 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.656 -9.308 1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.253 -9.980 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.004 -11.710 5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.327 -11.532 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.038 -12.585 3.054 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.742 -6.228 1.051 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.181 -5.991 1.026 1.00 0.00 C ATOM 1513 C HIS A 98 -6.880 -6.992 0.112 1.00 0.00 C ATOM 1514 O HIS A 98 -7.952 -7.501 0.437 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.476 -4.565 0.561 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.299 -3.536 1.635 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -6.925 -2.308 1.611 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.561 -3.559 2.770 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.578 -1.619 2.684 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.752 -2.356 3.404 1.00 0.00 N ATOM 0 H HIS A 98 -4.183 -5.472 0.656 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.564 -6.121 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.821 -4.322 -0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.499 -4.517 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.938 -4.372 3.113 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.913 -0.622 2.930 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.325 -2.077 4.287 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.266 -7.269 -1.035 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.845 -8.207 -1.978 1.00 0.00 C ATOM 1531 C GLY A 99 -7.299 -7.536 -3.259 1.00 0.00 C ATOM 1532 O GLY A 99 -8.323 -7.906 -3.834 1.00 0.00 O ATOM 0 H GLY A 99 -5.378 -6.860 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.112 -8.978 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.694 -8.707 -1.513 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.537 -6.544 -3.707 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.868 -5.817 -4.928 1.00 0.00 C ATOM 1538 C LEU A 100 -6.019 -6.304 -6.098 1.00 0.00 C ATOM 1539 O LEU A 100 -6.333 -6.037 -7.259 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.660 -4.315 -4.723 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.146 -3.746 -3.389 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.518 -2.279 -3.539 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.329 -4.548 -2.867 1.00 0.00 C ATOM 0 H LEU A 100 -5.686 -6.225 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.916 -6.004 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.596 -4.099 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.169 -3.785 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.334 -3.821 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.862 -1.891 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.646 -1.714 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.314 -2.179 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.662 -4.129 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.145 -4.504 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.029 -5.586 -2.721 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.945 -7.021 -5.785 1.00 0.00 N ATOM 1556 CA ILE A 101 -4.054 -7.548 -6.811 1.00 0.00 C ATOM 1557 C ILE A 101 -3.559 -8.943 -6.445 1.00 0.00 C ATOM 1558 O ILE A 101 -3.309 -9.237 -5.277 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.841 -6.625 -7.031 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -2.036 -6.488 -5.737 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.295 -5.261 -7.526 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.600 -6.069 -5.960 1.00 0.00 C ATOM 0 H ILE A 101 -4.671 -7.250 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.631 -7.601 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.199 -7.069 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.523 -5.757 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.050 -7.441 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.426 -4.621 -7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.829 -5.376 -8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.956 -4.808 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.090 -5.992 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.097 -6.811 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.577 -5.102 -6.462 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.417 -9.798 -7.453 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.950 -11.163 -7.237 1.00 0.00 C ATOM 1576 C ASN A 102 -3.974 -11.969 -6.444 1.00 0.00 C ATOM 1577 O ASN A 102 -3.655 -12.546 -5.404 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.609 -11.154 -6.500 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.599 -10.228 -7.149 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.925 -9.487 -8.077 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.637 -10.267 -6.664 1.00 0.00 N ATOM 0 H ASN A 102 -3.618 -9.570 -8.427 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.819 -11.635 -8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.768 -10.847 -5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.205 -12.166 -6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.360 -9.667 -7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.863 -10.896 -5.894 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.205 -12.006 -6.943 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.276 -12.742 -6.282 1.00 0.00 C ATOM 1590 C PHE A 103 -6.849 -13.814 -7.204 1.00 0.00 C ATOM 1591 O PHE A 103 -8.030 -14.151 -7.123 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.386 -11.784 -5.843 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.779 -10.796 -6.904 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.210 -11.229 -8.148 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.716 -9.434 -6.658 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.573 -10.322 -9.126 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -8.078 -8.523 -7.632 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.505 -8.967 -8.868 1.00 0.00 C ATOM 0 H PHE A 103 -5.486 -11.535 -7.803 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.858 -13.231 -5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.263 -12.364 -5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.057 -11.242 -4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.263 -12.288 -8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.380 -9.080 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.909 -10.673 -10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.027 -7.464 -7.427 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.785 -8.256 -9.631 1.00 0.00 H new ATOM 1608 N GLY A 104 -6.003 -14.346 -8.080 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.443 -15.375 -9.005 1.00 0.00 C ATOM 1610 C GLY A 104 -5.344 -16.365 -9.336 1.00 0.00 C ATOM 1611 O GLY A 104 -5.437 -17.543 -8.989 1.00 0.00 O ATOM 0 H GLY A 104 -5.021 -14.083 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.290 -15.908 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.795 -14.907 -9.924 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.303 -15.888 -10.009 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.182 -16.741 -10.387 1.00 0.00 C ATOM 1617 C ILE A 105 -2.926 -17.812 -9.332 1.00 0.00 C ATOM 1618 O ILE A 105 -2.621 -18.959 -9.658 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.895 -15.921 -10.593 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.491 -15.229 -9.290 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.090 -14.900 -11.704 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.478 -14.178 -8.833 1.00 0.00 C ATOM 0 H ILE A 105 -4.212 -14.916 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.453 -17.219 -11.328 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.093 -16.598 -10.886 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.384 -15.980 -8.507 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.514 -14.765 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.172 -14.328 -11.838 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.335 -15.415 -12.633 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.903 -14.224 -11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.127 -13.729 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.568 -13.406 -9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.451 -14.640 -8.668 1.00 0.00 H new ATOM 1634 N TYR A 106 -3.054 -17.430 -8.066 1.00 0.00 N ATOM 1635 CA TYR A 106 -2.836 -18.356 -6.962 1.00 0.00 C ATOM 1636 C TYR A 106 -3.957 -18.250 -5.932 1.00 0.00 C ATOM 1637 O TYR A 106 -4.328 -17.154 -5.512 1.00 0.00 O ATOM 1638 CB TYR A 106 -1.487 -18.080 -6.296 1.00 0.00 C ATOM 1639 CG TYR A 106 -1.445 -16.776 -5.531 1.00 0.00 C ATOM 1640 CD1 TYR A 106 -2.132 -16.629 -4.332 1.00 0.00 C ATOM 1641 CD2 TYR A 106 -0.721 -15.691 -6.009 1.00 0.00 C ATOM 1642 CE1 TYR A 106 -2.097 -15.440 -3.630 1.00 0.00 C ATOM 1643 CE2 TYR A 106 -0.679 -14.499 -5.313 1.00 0.00 C ATOM 1644 CZ TYR A 106 -1.369 -14.378 -4.125 1.00 0.00 C ATOM 1645 OH TYR A 106 -1.331 -13.191 -3.429 1.00 0.00 O ATOM 0 H TYR A 106 -3.308 -16.485 -7.779 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.833 -19.369 -7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.253 -18.899 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.710 -18.069 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.703 -17.459 -3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.182 -15.781 -6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.636 -15.342 -2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.109 -13.666 -5.697 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.774 -12.546 -3.913 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.491 -19.397 -5.528 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.568 -19.436 -4.546 1.00 0.00 C ATOM 1657 C LYS A 107 -5.009 -19.522 -3.129 1.00 0.00 C ATOM 1658 O LYS A 107 -5.025 -20.585 -2.509 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.489 -20.629 -4.815 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.567 -20.815 -3.762 1.00 0.00 C ATOM 1661 CD LYS A 107 -7.952 -22.277 -3.610 1.00 0.00 C ATOM 1662 CE LYS A 107 -6.864 -23.069 -2.902 1.00 0.00 C ATOM 1663 NZ LYS A 107 -6.949 -22.928 -1.422 1.00 0.00 N ATOM 0 H LYS A 107 -4.195 -20.313 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.142 -18.514 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.962 -20.500 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.887 -21.536 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.213 -20.430 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.447 -20.232 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.883 -22.353 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.137 -22.710 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.947 -24.122 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.886 -22.729 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.190 -23.483 -0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.844 -21.926 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.872 -23.276 -1.093 1.00 0.00 H new ATOM 1677 N ARG A 108 -4.517 -18.396 -2.623 1.00 0.00 N ATOM 1678 CA ARG A 108 -3.953 -18.345 -1.279 1.00 0.00 C ATOM 1679 C ARG A 108 -4.731 -17.369 -0.401 1.00 0.00 C ATOM 1680 O ARG A 108 -5.187 -17.726 0.686 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.481 -17.934 -1.336 1.00 0.00 C ATOM 1682 CG ARG A 108 -1.916 -17.506 0.009 1.00 0.00 C ATOM 1683 CD ARG A 108 -1.209 -18.658 0.707 1.00 0.00 C ATOM 1684 NE ARG A 108 -0.852 -18.326 2.084 1.00 0.00 N ATOM 1685 CZ ARG A 108 0.085 -18.966 2.774 1.00 0.00 C ATOM 1686 NH1 ARG A 108 0.757 -19.965 2.219 1.00 0.00 N ATOM 1687 NH2 ARG A 108 0.353 -18.606 4.023 1.00 0.00 N ATOM 0 H ARG A 108 -4.497 -17.507 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.028 -19.341 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.894 -18.769 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -2.369 -17.114 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.217 -16.682 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -2.722 -17.135 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.854 -19.536 0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -0.308 -18.921 0.152 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.349 -17.561 2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.555 -20.244 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 108 1.476 -20.454 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.161 -17.837 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 108 1.073 -19.098 4.552 1.00 0.00 H new ATOM 1701 N ILE A 109 -4.879 -16.139 -0.879 1.00 0.00 N ATOM 1702 CA ILE A 109 -5.602 -15.113 -0.137 1.00 0.00 C ATOM 1703 C ILE A 109 -6.988 -15.602 0.267 1.00 0.00 C ATOM 1704 O ILE A 109 -7.297 -15.717 1.454 1.00 0.00 O ATOM 1705 CB ILE A 109 -5.746 -13.819 -0.960 1.00 0.00 C ATOM 1706 CG1 ILE A 109 -4.370 -13.206 -1.231 1.00 0.00 C ATOM 1707 CG2 ILE A 109 -6.641 -12.826 -0.234 1.00 0.00 C ATOM 1708 CD1 ILE A 109 -4.365 -12.216 -2.376 1.00 0.00 C ATOM 0 H ILE A 109 -4.508 -15.828 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.018 -14.901 0.759 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.209 -14.063 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.019 -12.707 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.662 -14.005 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -6.733 -11.917 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -7.628 -13.265 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -6.204 -12.584 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -3.358 -11.822 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -4.685 -12.716 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.048 -11.397 -2.152 1.00 0.00 H new ATOM 1720 N LYS A 110 -7.821 -15.890 -0.727 1.00 0.00 N ATOM 1721 CA LYS A 110 -9.175 -16.370 -0.476 1.00 0.00 C ATOM 1722 C LYS A 110 -9.383 -17.754 -1.084 1.00 0.00 C ATOM 1723 O LYS A 110 -8.867 -18.071 -2.156 1.00 0.00 O ATOM 1724 CB LYS A 110 -10.200 -15.390 -1.051 1.00 0.00 C ATOM 1725 CG LYS A 110 -10.424 -14.165 -0.182 1.00 0.00 C ATOM 1726 CD LYS A 110 -11.830 -13.613 -0.347 1.00 0.00 C ATOM 1727 CE LYS A 110 -12.858 -14.489 0.352 1.00 0.00 C ATOM 1728 NZ LYS A 110 -14.197 -14.395 -0.293 1.00 0.00 N ATOM 0 H LYS A 110 -7.582 -15.799 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 110 -9.314 -16.441 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.869 -15.069 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -11.150 -15.908 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -10.254 -14.423 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.697 -13.395 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.875 -12.602 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -12.072 -13.542 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -12.521 -15.525 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -12.937 -14.192 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -14.870 -15.006 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.531 -13.411 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -14.127 -14.702 -1.284 1.00 0.00 H new ATOM 1742 N PRO A 111 -10.158 -18.597 -0.386 1.00 0.00 N ATOM 1743 CA PRO A 111 -10.453 -19.960 -0.839 1.00 0.00 C ATOM 1744 C PRO A 111 -11.364 -19.979 -2.061 1.00 0.00 C ATOM 1745 O PRO A 111 -12.088 -19.018 -2.325 1.00 0.00 O ATOM 1746 CB PRO A 111 -11.159 -20.588 0.365 1.00 0.00 C ATOM 1747 CG PRO A 111 -11.752 -19.436 1.100 1.00 0.00 C ATOM 1748 CD PRO A 111 -10.805 -18.285 0.899 1.00 0.00 C ATOM 0 HA PRO A 111 -9.553 -20.492 -1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.927 -21.294 0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.458 -21.139 0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.744 -19.197 0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.867 -19.666 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.333 -17.332 0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.078 -18.216 1.709 1.00 0.00 H new ATOM 1756 N LEU A 112 -11.325 -21.079 -2.805 1.00 0.00 N ATOM 1757 CA LEU A 112 -12.148 -21.225 -4.000 1.00 0.00 C ATOM 1758 C LEU A 112 -12.950 -22.522 -3.955 1.00 0.00 C ATOM 1759 O LEU A 112 -12.627 -23.454 -3.219 1.00 0.00 O ATOM 1760 CB LEU A 112 -11.272 -21.197 -5.254 1.00 0.00 C ATOM 1761 CG LEU A 112 -10.986 -19.815 -5.842 1.00 0.00 C ATOM 1762 CD1 LEU A 112 -9.907 -19.902 -6.910 1.00 0.00 C ATOM 1763 CD2 LEU A 112 -12.258 -19.206 -6.416 1.00 0.00 C ATOM 0 H LEU A 112 -10.732 -21.883 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.846 -20.389 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.320 -21.674 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.752 -21.804 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.626 -19.169 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.717 -18.909 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.991 -20.295 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.239 -20.564 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.036 -18.223 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.647 -19.852 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.003 -19.107 -5.626 1.00 0.00 H new ATOM 1775 N PRO A 113 -14.019 -22.585 -4.762 1.00 0.00 N ATOM 1776 CA PRO A 113 -14.887 -23.764 -4.835 1.00 0.00 C ATOM 1777 C PRO A 113 -14.197 -24.953 -5.494 1.00 0.00 C ATOM 1778 O PRO A 113 -14.807 -26.002 -5.704 1.00 0.00 O ATOM 1779 CB PRO A 113 -16.063 -23.286 -5.691 1.00 0.00 C ATOM 1780 CG PRO A 113 -15.504 -22.181 -6.519 1.00 0.00 C ATOM 1781 CD PRO A 113 -14.463 -21.511 -5.667 1.00 0.00 C ATOM 0 HA PRO A 113 -15.178 -24.118 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.451 -24.091 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.888 -22.937 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.066 -22.566 -7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.284 -21.477 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.639 -21.126 -6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.877 -20.667 -5.116 1.00 0.00 H new ATOM 1789 N THR A 114 -12.919 -24.783 -5.820 1.00 0.00 N ATOM 1790 CA THR A 114 -12.145 -25.842 -6.456 1.00 0.00 C ATOM 1791 C THR A 114 -12.405 -27.188 -5.790 1.00 0.00 C ATOM 1792 O THR A 114 -13.005 -27.257 -4.717 1.00 0.00 O ATOM 1793 CB THR A 114 -10.636 -25.541 -6.408 1.00 0.00 C ATOM 1794 OG1 THR A 114 -10.241 -25.226 -5.068 1.00 0.00 O ATOM 1795 CG2 THR A 114 -10.285 -24.383 -7.331 1.00 0.00 C ATOM 0 H THR A 114 -12.398 -23.922 -5.654 1.00 0.00 H new ATOM 0 HA THR A 114 -12.466 -25.887 -7.497 1.00 0.00 H new ATOM 0 HB THR A 114 -10.101 -26.429 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.280 -25.038 -5.046 1.00 0.00 H new ATOM 0 HG21 THR A 114 -9.214 -24.189 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.559 -24.638 -8.355 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.830 -23.492 -7.020 1.00 0.00 H new ATOM 1803 N LYS A 115 -11.948 -28.258 -6.432 1.00 0.00 N ATOM 1804 CA LYS A 115 -12.129 -29.604 -5.902 1.00 0.00 C ATOM 1805 C LYS A 115 -12.065 -29.602 -4.378 1.00 0.00 C ATOM 1806 O LYS A 115 -11.330 -28.817 -3.778 1.00 0.00 O ATOM 1807 CB LYS A 115 -11.061 -30.545 -6.466 1.00 0.00 C ATOM 1808 CG LYS A 115 -9.674 -30.299 -5.898 1.00 0.00 C ATOM 1809 CD LYS A 115 -8.902 -29.288 -6.729 1.00 0.00 C ATOM 1810 CE LYS A 115 -8.325 -29.923 -7.985 1.00 0.00 C ATOM 1811 NZ LYS A 115 -7.693 -28.912 -8.877 1.00 0.00 N ATOM 0 H LYS A 115 -11.449 -28.219 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.114 -29.958 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.351 -31.575 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.026 -30.434 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -9.758 -29.940 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.123 -31.239 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.560 -28.465 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.095 -28.864 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.586 -30.674 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.116 -30.441 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.312 -29.384 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.404 -28.210 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.921 -28.435 -8.369 1.00 0.00 H new ATOM 1825 N LYS A 116 -12.839 -30.485 -3.756 1.00 0.00 N ATOM 1826 CA LYS A 116 -12.869 -30.587 -2.302 1.00 0.00 C ATOM 1827 C LYS A 116 -11.456 -30.634 -1.731 1.00 0.00 C ATOM 1828 O LYS A 116 -10.663 -31.511 -2.076 1.00 0.00 O ATOM 1829 CB LYS A 116 -13.645 -31.835 -1.874 1.00 0.00 C ATOM 1830 CG LYS A 116 -15.127 -31.771 -2.200 1.00 0.00 C ATOM 1831 CD LYS A 116 -15.925 -32.760 -1.368 1.00 0.00 C ATOM 1832 CE LYS A 116 -16.423 -32.129 -0.077 1.00 0.00 C ATOM 1833 NZ LYS A 116 -15.442 -32.284 1.032 1.00 0.00 N ATOM 0 H LYS A 116 -13.454 -31.141 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.371 -29.702 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.211 -32.708 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -13.524 -31.978 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -15.497 -30.761 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -15.277 -31.981 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.774 -33.123 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.304 -33.625 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.619 -31.070 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.370 -32.587 0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.938 -32.227 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.970 -33.207 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.732 -31.526 0.976 1.00 0.00 H new ATOM 1847 N THR A 117 -11.145 -29.685 -0.853 1.00 0.00 N ATOM 1848 CA THR A 117 -9.828 -29.618 -0.233 1.00 0.00 C ATOM 1849 C THR A 117 -9.674 -30.682 0.848 1.00 0.00 C ATOM 1850 O THR A 117 -10.661 -31.215 1.353 1.00 0.00 O ATOM 1851 CB THR A 117 -9.568 -28.232 0.386 1.00 0.00 C ATOM 1852 OG1 THR A 117 -8.232 -28.167 0.898 1.00 0.00 O ATOM 1853 CG2 THR A 117 -10.559 -27.943 1.503 1.00 0.00 C ATOM 0 H THR A 117 -11.789 -28.952 -0.555 1.00 0.00 H new ATOM 0 HA THR A 117 -9.098 -29.798 -1.022 1.00 0.00 H new ATOM 0 HB THR A 117 -9.695 -27.481 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.074 -27.282 1.288 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.355 -26.959 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.573 -27.964 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.460 -28.699 2.282 1.00 0.00 H new ATOM 1861 N GLY A 118 -8.428 -30.986 1.200 1.00 0.00 N ATOM 1862 CA GLY A 118 -8.169 -31.985 2.220 1.00 0.00 C ATOM 1863 C GLY A 118 -8.390 -31.453 3.622 1.00 0.00 C ATOM 1864 O GLY A 118 -9.529 -31.299 4.063 1.00 0.00 O ATOM 0 H GLY A 118 -7.594 -30.558 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.818 -32.845 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.142 -32.338 2.126 1.00 0.00 H new ATOM 1868 N SER A 119 -7.298 -31.172 4.326 1.00 0.00 N ATOM 1869 CA SER A 119 -7.377 -30.659 5.688 1.00 0.00 C ATOM 1870 C SER A 119 -6.312 -29.594 5.931 1.00 0.00 C ATOM 1871 O SER A 119 -5.119 -29.843 5.762 1.00 0.00 O ATOM 1872 CB SER A 119 -7.213 -31.799 6.695 1.00 0.00 C ATOM 1873 OG SER A 119 -7.541 -31.373 8.006 1.00 0.00 O ATOM 0 H SER A 119 -6.348 -31.291 3.975 1.00 0.00 H new ATOM 0 HA SER A 119 -8.358 -30.203 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 119 -7.852 -32.635 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 119 -6.185 -32.162 6.674 1.00 0.00 H new ATOM 0 HG SER A 119 -7.430 -32.120 8.630 1.00 0.00 H new ATOM 1879 N GLY A 120 -6.754 -28.404 6.329 1.00 0.00 N ATOM 1880 CA GLY A 120 -5.827 -27.318 6.588 1.00 0.00 C ATOM 1881 C GLY A 120 -5.117 -27.467 7.919 1.00 0.00 C ATOM 1882 O GLY A 120 -4.127 -28.189 8.041 1.00 0.00 O ATOM 0 H GLY A 120 -7.737 -28.173 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -5.088 -27.277 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.367 -26.371 6.572 1.00 0.00 H new ATOM 1886 N PRO A 121 -5.625 -26.771 8.947 1.00 0.00 N ATOM 1887 CA PRO A 121 -5.048 -26.812 10.294 1.00 0.00 C ATOM 1888 C PRO A 121 -5.260 -28.160 10.974 1.00 0.00 C ATOM 1889 O PRO A 121 -6.303 -28.403 11.581 1.00 0.00 O ATOM 1890 CB PRO A 121 -5.807 -25.712 11.039 1.00 0.00 C ATOM 1891 CG PRO A 121 -7.103 -25.589 10.316 1.00 0.00 C ATOM 1892 CD PRO A 121 -6.803 -25.891 8.873 1.00 0.00 C ATOM 0 HA PRO A 121 -3.968 -26.668 10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -5.961 -25.976 12.085 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.256 -24.772 11.026 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -7.840 -26.286 10.715 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.518 -24.587 10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.643 -26.384 8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -6.592 -24.983 8.308 1.00 0.00 H new ATOM 1900 N SER A 122 -4.263 -29.034 10.871 1.00 0.00 N ATOM 1901 CA SER A 122 -4.342 -30.359 11.474 1.00 0.00 C ATOM 1902 C SER A 122 -3.592 -30.397 12.802 1.00 0.00 C ATOM 1903 O SER A 122 -2.366 -30.510 12.832 1.00 0.00 O ATOM 1904 CB SER A 122 -3.770 -31.411 10.521 1.00 0.00 C ATOM 1905 OG SER A 122 -2.418 -31.131 10.205 1.00 0.00 O ATOM 0 H SER A 122 -3.391 -28.848 10.375 1.00 0.00 H new ATOM 0 HA SER A 122 -5.392 -30.583 11.663 1.00 0.00 H new ATOM 0 HB2 SER A 122 -3.843 -32.398 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 122 -4.362 -31.438 9.606 1.00 0.00 H new ATOM 0 HG SER A 122 -1.936 -30.883 11.021 1.00 0.00 H new ATOM 1911 N SER A 123 -4.337 -30.302 13.898 1.00 0.00 N ATOM 1912 CA SER A 123 -3.743 -30.322 15.230 1.00 0.00 C ATOM 1913 C SER A 123 -4.493 -31.284 16.145 1.00 0.00 C ATOM 1914 O SER A 123 -5.599 -31.722 15.831 1.00 0.00 O ATOM 1915 CB SER A 123 -3.749 -28.916 15.835 1.00 0.00 C ATOM 1916 OG SER A 123 -2.761 -28.098 15.232 1.00 0.00 O ATOM 0 H SER A 123 -5.353 -30.210 13.890 1.00 0.00 H new ATOM 0 HA SER A 123 -2.713 -30.666 15.136 1.00 0.00 H new ATOM 0 HB2 SER A 123 -4.732 -28.463 15.702 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.569 -28.978 16.908 1.00 0.00 H new ATOM 0 HG SER A 123 -2.786 -27.205 15.634 1.00 0.00 H new ATOM 1922 N GLY A 124 -3.882 -31.610 17.280 1.00 0.00 N ATOM 1923 CA GLY A 124 -4.506 -32.518 18.224 1.00 0.00 C ATOM 1924 C GLY A 124 -4.128 -33.965 17.973 1.00 0.00 C ATOM 1925 O GLY A 124 -4.696 -34.875 18.577 1.00 0.00 O ATOM 0 H GLY A 124 -2.966 -31.261 17.562 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.215 -32.240 19.237 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -5.589 -32.413 18.163 1.00 0.00 H new TER 1929 GLY A 124