USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1073 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 102 TYR OH : rot -38:sc= -0.049 USER MOD Set 1.2: A 110 CYS SG : rot 90:sc= -3.61! USER MOD Set 2.1: A 65 SER OG : rot -159:sc= 1.35 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -2.22! K(o=-0.87!,f=-8.1) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -8.33! C(o=-7.7!,f=-13!) USER MOD Set 3.2: A 96 THR OG1 : rot -66:sc= 0.655 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0293 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 0.389 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -3.26! C(o=-3.3!,f=-3.8!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -17:sc= 1.08 USER MOD Single : A 33 MET CE :methyl -165:sc= -4.71! (180deg=-6.06!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 85:sc= 0.17 USER MOD Single : A 54 GLN : amide:sc= -7.51! C(o=-7.5!,f=-6.7!) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0334 (180deg=-0.312) USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= 0.573 (180deg=-0.612) USER MOD Single : A 68 TYR OH : rot 44:sc= 1.25 USER MOD Single : A 69 ASN : amide:sc= 1.01 K(o=1,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= 0.367 (180deg=0.157) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00457 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -1.94 X(o=-1.9,f=-2.3) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.61) USER MOD Single : A 106 SER OG : rot -151:sc= 1.01 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 83:sc= 0.534 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.99! C(o=-3!,f=-4.5!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 147:sc= 0.0101 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -55:sc= 0.743 USER MOD Single : A 131 SER OG : rot 28:sc= 1.17 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 11:sc= 0.898 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.673 -27.216 10.488 1.00 0.00 N ATOM 2 CA GLY A 1 34.708 -27.684 9.114 1.00 0.00 C ATOM 3 C GLY A 1 33.891 -26.809 8.184 1.00 0.00 C ATOM 4 O GLY A 1 33.747 -25.609 8.416 1.00 0.00 O ATOM 0 H1 GLY A 1 35.631 -27.252 10.891 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.323 -26.237 10.512 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.040 -27.824 11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.741 -27.711 8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.331 -28.706 9.071 1.00 0.00 H new ATOM 8 N SER A 2 33.357 -27.411 7.126 1.00 0.00 N ATOM 9 CA SER A 2 32.555 -26.678 6.154 1.00 0.00 C ATOM 10 C SER A 2 33.408 -25.661 5.402 1.00 0.00 C ATOM 11 O SER A 2 32.992 -24.523 5.188 1.00 0.00 O ATOM 12 CB SER A 2 31.392 -25.969 6.851 1.00 0.00 C ATOM 13 OG SER A 2 30.496 -25.409 5.906 1.00 0.00 O ATOM 0 H SER A 2 33.465 -28.404 6.920 1.00 0.00 H new ATOM 0 HA SER A 2 32.156 -27.394 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.860 -26.676 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.778 -25.184 7.501 1.00 0.00 H new ATOM 0 HG SER A 2 30.993 -24.839 5.282 1.00 0.00 H new ATOM 19 N SER A 3 34.604 -26.081 5.004 1.00 0.00 N ATOM 20 CA SER A 3 35.519 -25.207 4.279 1.00 0.00 C ATOM 21 C SER A 3 35.743 -25.714 2.858 1.00 0.00 C ATOM 22 O SER A 3 35.644 -26.910 2.590 1.00 0.00 O ATOM 23 CB SER A 3 36.857 -25.111 5.015 1.00 0.00 C ATOM 24 OG SER A 3 37.623 -26.290 4.838 1.00 0.00 O ATOM 0 H SER A 3 34.962 -27.021 5.171 1.00 0.00 H new ATOM 0 HA SER A 3 35.070 -24.215 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 3 37.417 -24.251 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.680 -24.945 6.078 1.00 0.00 H new ATOM 0 HG SER A 3 38.474 -26.202 5.317 1.00 0.00 H new ATOM 30 N GLY A 4 36.047 -24.792 1.949 1.00 0.00 N ATOM 31 CA GLY A 4 36.281 -25.163 0.565 1.00 0.00 C ATOM 32 C GLY A 4 35.508 -24.294 -0.407 1.00 0.00 C ATOM 33 O GLY A 4 35.380 -23.087 -0.204 1.00 0.00 O ATOM 0 H GLY A 4 36.135 -23.795 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.346 -25.087 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 4 35.999 -26.206 0.419 1.00 0.00 H new ATOM 37 N SER A 5 34.992 -24.909 -1.467 1.00 0.00 N ATOM 38 CA SER A 5 34.232 -24.182 -2.477 1.00 0.00 C ATOM 39 C SER A 5 32.913 -23.673 -1.903 1.00 0.00 C ATOM 40 O SER A 5 32.381 -24.237 -0.947 1.00 0.00 O ATOM 41 CB SER A 5 33.963 -25.079 -3.686 1.00 0.00 C ATOM 42 OG SER A 5 35.169 -25.615 -4.203 1.00 0.00 O ATOM 0 H SER A 5 35.087 -25.908 -1.648 1.00 0.00 H new ATOM 0 HA SER A 5 34.825 -23.324 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.295 -25.891 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.454 -24.506 -4.461 1.00 0.00 H new ATOM 0 HG SER A 5 34.969 -26.186 -4.974 1.00 0.00 H new ATOM 48 N SER A 6 32.392 -22.603 -2.494 1.00 0.00 N ATOM 49 CA SER A 6 31.137 -22.014 -2.041 1.00 0.00 C ATOM 50 C SER A 6 29.977 -22.983 -2.244 1.00 0.00 C ATOM 51 O SER A 6 29.227 -23.276 -1.314 1.00 0.00 O ATOM 52 CB SER A 6 30.863 -20.708 -2.788 1.00 0.00 C ATOM 53 OG SER A 6 30.868 -20.912 -4.190 1.00 0.00 O ATOM 0 H SER A 6 32.819 -22.126 -3.288 1.00 0.00 H new ATOM 0 HA SER A 6 31.228 -21.802 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.899 -20.304 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 6 31.618 -19.968 -2.522 1.00 0.00 H new ATOM 0 HG SER A 6 30.689 -20.063 -4.645 1.00 0.00 H new ATOM 59 N GLY A 7 29.837 -23.479 -3.470 1.00 0.00 N ATOM 60 CA GLY A 7 28.767 -24.410 -3.776 1.00 0.00 C ATOM 61 C GLY A 7 27.792 -23.858 -4.797 1.00 0.00 C ATOM 62 O GLY A 7 28.197 -23.320 -5.826 1.00 0.00 O ATOM 0 H GLY A 7 30.446 -23.252 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.195 -25.339 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.229 -24.654 -2.860 1.00 0.00 H new ATOM 66 N LYS A 8 26.501 -23.993 -4.513 1.00 0.00 N ATOM 67 CA LYS A 8 25.463 -23.505 -5.413 1.00 0.00 C ATOM 68 C LYS A 8 24.210 -23.112 -4.638 1.00 0.00 C ATOM 69 O LYS A 8 24.082 -23.415 -3.452 1.00 0.00 O ATOM 70 CB LYS A 8 25.118 -24.572 -6.454 1.00 0.00 C ATOM 71 CG LYS A 8 26.286 -24.950 -7.349 1.00 0.00 C ATOM 72 CD LYS A 8 25.834 -25.791 -8.530 1.00 0.00 C ATOM 73 CE LYS A 8 25.724 -27.262 -8.157 1.00 0.00 C ATOM 74 NZ LYS A 8 24.933 -28.030 -9.159 1.00 0.00 N ATOM 0 H LYS A 8 26.148 -24.437 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 8 25.846 -22.620 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.760 -25.465 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.298 -24.210 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 8 26.775 -24.046 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 8 27.026 -25.503 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.868 -25.432 -8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 8 26.540 -25.675 -9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.722 -27.692 -8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.256 -27.354 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.881 -29.028 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.972 -27.636 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.393 -27.963 -10.089 1.00 0.00 H new ATOM 88 N ALA A 9 23.287 -22.437 -5.316 1.00 0.00 N ATOM 89 CA ALA A 9 22.043 -22.006 -4.691 1.00 0.00 C ATOM 90 C ALA A 9 20.902 -22.961 -5.024 1.00 0.00 C ATOM 91 O ALA A 9 21.053 -23.857 -5.854 1.00 0.00 O ATOM 92 CB ALA A 9 21.695 -20.591 -5.129 1.00 0.00 C ATOM 0 H ALA A 9 23.378 -22.177 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 9 22.186 -22.015 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.764 -20.282 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 9 22.495 -19.912 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 9 21.577 -20.564 -6.212 1.00 0.00 H new ATOM 98 N GLU A 10 19.761 -22.763 -4.372 1.00 0.00 N ATOM 99 CA GLU A 10 18.595 -23.609 -4.599 1.00 0.00 C ATOM 100 C GLU A 10 17.790 -23.114 -5.798 1.00 0.00 C ATOM 101 O GLU A 10 18.042 -22.031 -6.324 1.00 0.00 O ATOM 102 CB GLU A 10 17.708 -23.639 -3.353 1.00 0.00 C ATOM 103 CG GLU A 10 18.328 -24.383 -2.183 1.00 0.00 C ATOM 104 CD GLU A 10 18.719 -25.805 -2.537 1.00 0.00 C ATOM 105 OE1 GLU A 10 17.838 -26.566 -2.990 1.00 0.00 O ATOM 106 OE2 GLU A 10 19.904 -26.157 -2.361 1.00 0.00 O ATOM 0 H GLU A 10 19.619 -22.025 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 10 18.946 -24.619 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.490 -22.616 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.756 -24.106 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.210 -23.842 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.622 -24.400 -1.353 1.00 0.00 H new ATOM 113 N ALA A 11 16.821 -23.918 -6.224 1.00 0.00 N ATOM 114 CA ALA A 11 15.978 -23.562 -7.359 1.00 0.00 C ATOM 115 C ALA A 11 14.520 -23.417 -6.935 1.00 0.00 C ATOM 116 O ALA A 11 14.165 -23.705 -5.793 1.00 0.00 O ATOM 117 CB ALA A 11 16.108 -24.604 -8.460 1.00 0.00 C ATOM 0 H ALA A 11 16.600 -24.819 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 11 16.315 -22.599 -7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.473 -24.326 -9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.145 -24.657 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.799 -25.577 -8.078 1.00 0.00 H new ATOM 123 N GLU A 12 13.681 -22.969 -7.864 1.00 0.00 N ATOM 124 CA GLU A 12 12.261 -22.785 -7.585 1.00 0.00 C ATOM 125 C GLU A 12 11.698 -23.977 -6.817 1.00 0.00 C ATOM 126 O GLU A 12 11.621 -25.086 -7.344 1.00 0.00 O ATOM 127 CB GLU A 12 11.483 -22.590 -8.888 1.00 0.00 C ATOM 128 CG GLU A 12 11.664 -23.727 -9.880 1.00 0.00 C ATOM 129 CD GLU A 12 11.331 -23.319 -11.302 1.00 0.00 C ATOM 130 OE1 GLU A 12 11.587 -22.150 -11.658 1.00 0.00 O ATOM 131 OE2 GLU A 12 10.814 -24.168 -12.058 1.00 0.00 O ATOM 0 H GLU A 12 13.959 -22.727 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 12 12.151 -21.893 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.423 -22.486 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.800 -21.658 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.695 -24.079 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.029 -24.564 -9.588 1.00 0.00 H new ATOM 138 N GLN A 13 11.308 -23.739 -5.569 1.00 0.00 N ATOM 139 CA GLN A 13 10.754 -24.793 -4.728 1.00 0.00 C ATOM 140 C GLN A 13 9.230 -24.733 -4.713 1.00 0.00 C ATOM 141 O GLN A 13 8.602 -24.907 -3.670 1.00 0.00 O ATOM 142 CB GLN A 13 11.294 -24.674 -3.302 1.00 0.00 C ATOM 143 CG GLN A 13 10.966 -23.348 -2.636 1.00 0.00 C ATOM 144 CD GLN A 13 9.663 -23.390 -1.862 1.00 0.00 C ATOM 145 OE1 GLN A 13 8.637 -22.890 -2.324 1.00 0.00 O ATOM 146 NE2 GLN A 13 9.697 -23.988 -0.677 1.00 0.00 N ATOM 0 H GLN A 13 11.365 -22.826 -5.118 1.00 0.00 H new ATOM 0 HA GLN A 13 11.058 -25.753 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.885 -25.485 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.376 -24.804 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.777 -23.075 -1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.908 -22.569 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.569 -24.389 -0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.851 -24.046 -0.111 1.00 0.00 H new ATOM 155 N ASN A 14 8.641 -24.486 -5.879 1.00 0.00 N ATOM 156 CA ASN A 14 7.190 -24.403 -6.000 1.00 0.00 C ATOM 157 C ASN A 14 6.596 -25.757 -6.374 1.00 0.00 C ATOM 158 O ASN A 14 6.833 -26.270 -7.467 1.00 0.00 O ATOM 159 CB ASN A 14 6.805 -23.358 -7.049 1.00 0.00 C ATOM 160 CG ASN A 14 6.851 -21.944 -6.501 1.00 0.00 C ATOM 161 OD1 ASN A 14 5.822 -21.370 -6.146 1.00 0.00 O ATOM 162 ND2 ASN A 14 8.049 -21.376 -6.432 1.00 0.00 N ATOM 0 H ASN A 14 9.146 -24.340 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 14 6.786 -24.104 -5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.480 -23.437 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.801 -23.570 -7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.143 -20.426 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.875 -21.890 -6.738 1.00 0.00 H new ATOM 169 N TRP A 15 5.824 -26.331 -5.458 1.00 0.00 N ATOM 170 CA TRP A 15 5.196 -27.626 -5.691 1.00 0.00 C ATOM 171 C TRP A 15 3.681 -27.487 -5.787 1.00 0.00 C ATOM 172 O TRP A 15 2.938 -28.346 -5.313 1.00 0.00 O ATOM 173 CB TRP A 15 5.561 -28.602 -4.571 1.00 0.00 C ATOM 174 CG TRP A 15 4.676 -28.483 -3.368 1.00 0.00 C ATOM 175 CD1 TRP A 15 4.741 -27.527 -2.394 1.00 0.00 C ATOM 176 CD2 TRP A 15 3.594 -29.350 -3.010 1.00 0.00 C ATOM 177 NE1 TRP A 15 3.765 -27.748 -1.452 1.00 0.00 N ATOM 178 CE2 TRP A 15 3.048 -28.860 -1.807 1.00 0.00 C ATOM 179 CE3 TRP A 15 3.033 -30.492 -3.588 1.00 0.00 C ATOM 180 CZ2 TRP A 15 1.970 -29.474 -1.175 1.00 0.00 C ATOM 181 CZ3 TRP A 15 1.964 -31.100 -2.960 1.00 0.00 C ATOM 182 CH2 TRP A 15 1.440 -30.590 -1.764 1.00 0.00 C ATOM 0 H TRP A 15 5.618 -25.920 -4.547 1.00 0.00 H new ATOM 0 HA TRP A 15 5.567 -28.016 -6.639 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.506 -29.621 -4.954 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.595 -28.430 -4.271 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.455 -26.717 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.601 -27.177 -0.623 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.429 -30.892 -4.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.566 -29.083 -0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.524 -31.984 -3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.602 -31.087 -1.298 1.00 0.00 H new ATOM 193 N TRP A 16 3.229 -26.401 -6.403 1.00 0.00 N ATOM 194 CA TRP A 16 1.801 -26.150 -6.561 1.00 0.00 C ATOM 195 C TRP A 16 1.304 -26.661 -7.909 1.00 0.00 C ATOM 196 O TRP A 16 2.094 -26.893 -8.824 1.00 0.00 O ATOM 197 CB TRP A 16 1.507 -24.655 -6.429 1.00 0.00 C ATOM 198 CG TRP A 16 0.135 -24.363 -5.900 1.00 0.00 C ATOM 199 CD1 TRP A 16 -1.023 -24.294 -6.620 1.00 0.00 C ATOM 200 CD2 TRP A 16 -0.220 -24.100 -4.539 1.00 0.00 C ATOM 201 NE1 TRP A 16 -2.077 -24.003 -5.788 1.00 0.00 N ATOM 202 CE2 TRP A 16 -1.611 -23.880 -4.506 1.00 0.00 C ATOM 203 CE3 TRP A 16 0.501 -24.030 -3.343 1.00 0.00 C ATOM 204 CZ2 TRP A 16 -2.292 -23.595 -3.325 1.00 0.00 C ATOM 205 CZ3 TRP A 16 -0.176 -23.747 -2.173 1.00 0.00 C ATOM 206 CH2 TRP A 16 -1.561 -23.533 -2.170 1.00 0.00 C ATOM 0 H TRP A 16 3.831 -25.680 -6.801 1.00 0.00 H new ATOM 0 HA TRP A 16 1.274 -26.688 -5.773 1.00 0.00 H new ATOM 0 HB2 TRP A 16 2.247 -24.204 -5.768 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.621 -24.182 -7.405 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.099 -24.446 -7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -3.049 -23.896 -6.078 1.00 0.00 H new ATOM 0 HE3 TRP A 16 1.568 -24.194 -3.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -3.359 -23.429 -3.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.372 -23.690 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.061 -23.315 -1.238 1.00 0.00 H new ATOM 217 N GLU A 17 -0.009 -26.834 -8.024 1.00 0.00 N ATOM 218 CA GLU A 17 -0.609 -27.319 -9.261 1.00 0.00 C ATOM 219 C GLU A 17 -0.810 -26.176 -10.253 1.00 0.00 C ATOM 220 O GLU A 17 -1.818 -26.121 -10.957 1.00 0.00 O ATOM 221 CB GLU A 17 -1.949 -28.000 -8.972 1.00 0.00 C ATOM 222 CG GLU A 17 -3.009 -27.053 -8.436 1.00 0.00 C ATOM 223 CD GLU A 17 -4.381 -27.694 -8.364 1.00 0.00 C ATOM 224 OE1 GLU A 17 -4.488 -28.805 -7.802 1.00 0.00 O ATOM 225 OE2 GLU A 17 -5.348 -27.086 -8.869 1.00 0.00 O ATOM 0 H GLU A 17 -0.677 -26.646 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 17 0.072 -28.046 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.317 -28.463 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.792 -28.802 -8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.718 -26.713 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.058 -26.170 -9.073 1.00 0.00 H new ATOM 232 N GLY A 18 0.157 -25.265 -10.301 1.00 0.00 N ATOM 233 CA GLY A 18 0.068 -24.136 -11.208 1.00 0.00 C ATOM 234 C GLY A 18 0.737 -22.894 -10.655 1.00 0.00 C ATOM 235 O GLY A 18 0.895 -22.735 -9.444 1.00 0.00 O ATOM 0 H GLY A 18 1.000 -25.289 -9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.530 -24.401 -12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.981 -23.920 -11.412 1.00 0.00 H new ATOM 239 N PRO A 19 1.146 -21.986 -11.554 1.00 0.00 N ATOM 240 CA PRO A 19 1.810 -20.737 -11.172 1.00 0.00 C ATOM 241 C PRO A 19 0.863 -19.765 -10.478 1.00 0.00 C ATOM 242 O PRO A 19 -0.275 -19.560 -10.901 1.00 0.00 O ATOM 243 CB PRO A 19 2.280 -20.161 -12.511 1.00 0.00 C ATOM 244 CG PRO A 19 1.349 -20.741 -13.520 1.00 0.00 C ATOM 245 CD PRO A 19 0.990 -22.111 -13.013 1.00 0.00 C ATOM 0 HA PRO A 19 2.616 -20.906 -10.458 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.235 -19.072 -12.511 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.313 -20.438 -12.720 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.460 -20.121 -13.632 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.823 -20.799 -14.500 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.029 -22.386 -13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.648 -22.877 -13.423 1.00 0.00 H new ATOM 253 N PRO A 20 1.340 -19.151 -9.385 1.00 0.00 N ATOM 254 CA PRO A 20 0.551 -18.190 -8.609 1.00 0.00 C ATOM 255 C PRO A 20 0.323 -16.884 -9.363 1.00 0.00 C ATOM 256 O PRO A 20 0.752 -16.735 -10.507 1.00 0.00 O ATOM 257 CB PRO A 20 1.411 -17.946 -7.366 1.00 0.00 C ATOM 258 CG PRO A 20 2.803 -18.248 -7.803 1.00 0.00 C ATOM 259 CD PRO A 20 2.687 -19.347 -8.823 1.00 0.00 C ATOM 0 HA PRO A 20 -0.447 -18.568 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.320 -16.917 -7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.106 -18.590 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.277 -17.366 -8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.418 -18.562 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.458 -19.267 -9.590 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.793 -20.331 -8.367 1.00 0.00 H new ATOM 267 N GLN A 21 -0.353 -15.942 -8.714 1.00 0.00 N ATOM 268 CA GLN A 21 -0.638 -14.649 -9.325 1.00 0.00 C ATOM 269 C GLN A 21 0.641 -13.836 -9.499 1.00 0.00 C ATOM 270 O GLN A 21 1.539 -13.886 -8.659 1.00 0.00 O ATOM 271 CB GLN A 21 -1.640 -13.868 -8.474 1.00 0.00 C ATOM 272 CG GLN A 21 -1.208 -13.699 -7.026 1.00 0.00 C ATOM 273 CD GLN A 21 -2.067 -12.702 -6.273 1.00 0.00 C ATOM 274 OE1 GLN A 21 -1.849 -11.493 -6.352 1.00 0.00 O ATOM 275 NE2 GLN A 21 -3.050 -13.206 -5.536 1.00 0.00 N ATOM 0 H GLN A 21 -0.713 -16.050 -7.766 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.071 -14.828 -10.309 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.790 -12.883 -8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.602 -14.379 -8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.253 -14.665 -6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.169 -13.372 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.194 -14.215 -5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.661 -12.584 -5.006 1.00 0.00 H new ATOM 284 N ASP A 22 0.716 -13.088 -10.595 1.00 0.00 N ATOM 285 CA ASP A 22 1.885 -12.263 -10.879 1.00 0.00 C ATOM 286 C ASP A 22 1.795 -10.925 -10.152 1.00 0.00 C ATOM 287 O ASP A 22 0.932 -10.100 -10.452 1.00 0.00 O ATOM 288 CB ASP A 22 2.018 -12.032 -12.385 1.00 0.00 C ATOM 289 CG ASP A 22 1.844 -13.308 -13.184 1.00 0.00 C ATOM 290 OD1 ASP A 22 0.691 -13.635 -13.535 1.00 0.00 O ATOM 291 OD2 ASP A 22 2.860 -13.980 -13.459 1.00 0.00 O ATOM 0 H ASP A 22 -0.018 -13.036 -11.301 1.00 0.00 H new ATOM 0 HA ASP A 22 2.769 -12.791 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.274 -11.302 -12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.997 -11.604 -12.599 1.00 0.00 H new ATOM 296 N LEU A 23 2.692 -10.717 -9.194 1.00 0.00 N ATOM 297 CA LEU A 23 2.715 -9.480 -8.422 1.00 0.00 C ATOM 298 C LEU A 23 3.765 -8.517 -8.967 1.00 0.00 C ATOM 299 O LEU A 23 3.622 -7.299 -8.856 1.00 0.00 O ATOM 300 CB LEU A 23 2.997 -9.779 -6.949 1.00 0.00 C ATOM 301 CG LEU A 23 1.912 -10.557 -6.202 1.00 0.00 C ATOM 302 CD1 LEU A 23 2.397 -10.952 -4.816 1.00 0.00 C ATOM 303 CD2 LEU A 23 0.635 -9.736 -6.108 1.00 0.00 C ATOM 0 H LEU A 23 3.413 -11.390 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 23 1.736 -9.009 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.928 -10.341 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.159 -8.833 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 23 1.694 -11.467 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.612 -11.504 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.284 -11.580 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.644 -10.055 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.125 -10.306 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.837 -8.809 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.277 -9.505 -7.111 1.00 0.00 H new ATOM 315 N SER A 24 4.818 -9.072 -9.559 1.00 0.00 N ATOM 316 CA SER A 24 5.893 -8.262 -10.120 1.00 0.00 C ATOM 317 C SER A 24 5.357 -7.309 -11.184 1.00 0.00 C ATOM 318 O SER A 24 5.852 -6.193 -11.341 1.00 0.00 O ATOM 319 CB SER A 24 6.975 -9.161 -10.723 1.00 0.00 C ATOM 320 OG SER A 24 7.844 -8.420 -11.562 1.00 0.00 O ATOM 0 H SER A 24 4.949 -10.078 -9.662 1.00 0.00 H new ATOM 0 HA SER A 24 6.328 -7.671 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.549 -9.631 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.509 -9.963 -11.295 1.00 0.00 H new ATOM 0 HG SER A 24 8.527 -9.016 -11.934 1.00 0.00 H new ATOM 326 N VAL A 25 4.340 -7.758 -11.914 1.00 0.00 N ATOM 327 CA VAL A 25 3.735 -6.947 -12.963 1.00 0.00 C ATOM 328 C VAL A 25 3.231 -5.619 -12.408 1.00 0.00 C ATOM 329 O VAL A 25 3.013 -4.665 -13.155 1.00 0.00 O ATOM 330 CB VAL A 25 2.565 -7.686 -13.639 1.00 0.00 C ATOM 331 CG1 VAL A 25 3.007 -9.059 -14.121 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.385 -7.800 -12.685 1.00 0.00 C ATOM 0 H VAL A 25 3.918 -8.679 -11.797 1.00 0.00 H new ATOM 0 HA VAL A 25 4.511 -6.757 -13.704 1.00 0.00 H new ATOM 0 HB VAL A 25 2.246 -7.109 -14.507 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.167 -9.566 -14.596 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.818 -8.948 -14.841 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.354 -9.648 -13.272 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.567 -8.325 -13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.688 -8.354 -11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.054 -6.803 -12.395 1.00 0.00 H new ATOM 342 N HIS A 26 3.047 -5.565 -11.093 1.00 0.00 N ATOM 343 CA HIS A 26 2.569 -4.353 -10.437 1.00 0.00 C ATOM 344 C HIS A 26 3.686 -3.319 -10.325 1.00 0.00 C ATOM 345 O HIS A 26 4.868 -3.657 -10.398 1.00 0.00 O ATOM 346 CB HIS A 26 2.022 -4.681 -9.048 1.00 0.00 C ATOM 347 CG HIS A 26 1.015 -5.791 -9.048 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.007 -5.892 -9.983 1.00 0.00 N ATOM 349 CD2 HIS A 26 0.867 -6.851 -8.220 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.719 -6.966 -9.729 1.00 0.00 C ATOM 351 NE2 HIS A 26 -0.218 -7.566 -8.665 1.00 0.00 N ATOM 0 H HIS A 26 3.222 -6.346 -10.461 1.00 0.00 H new ATOM 0 HA HIS A 26 1.768 -3.933 -11.045 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.851 -4.953 -8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.564 -3.786 -8.626 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.153 -5.240 -10.751 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.486 -7.090 -7.368 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.577 -7.297 -10.296 1.00 0.00 H new ATOM 359 N LEU A 27 3.304 -2.059 -10.148 1.00 0.00 N ATOM 360 CA LEU A 27 4.273 -0.976 -10.027 1.00 0.00 C ATOM 361 C LEU A 27 4.771 -0.849 -8.591 1.00 0.00 C ATOM 362 O LEU A 27 5.935 -0.527 -8.354 1.00 0.00 O ATOM 363 CB LEU A 27 3.649 0.346 -10.481 1.00 0.00 C ATOM 364 CG LEU A 27 3.350 0.468 -11.975 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.669 1.794 -12.276 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.629 0.327 -12.788 1.00 0.00 C ATOM 0 H LEU A 27 2.330 -1.762 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 27 5.123 -1.209 -10.668 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.719 0.494 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.319 1.157 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 27 2.673 -0.338 -12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.464 1.863 -13.344 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.732 1.856 -11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.322 2.614 -11.978 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.397 0.416 -13.849 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.330 1.111 -12.502 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.077 -0.648 -12.595 1.00 0.00 H new ATOM 378 N TRP A 28 3.884 -1.107 -7.638 1.00 0.00 N ATOM 379 CA TRP A 28 4.235 -1.025 -6.224 1.00 0.00 C ATOM 380 C TRP A 28 4.931 -2.299 -5.761 1.00 0.00 C ATOM 381 O TRP A 28 4.993 -2.584 -4.564 1.00 0.00 O ATOM 382 CB TRP A 28 2.984 -0.776 -5.381 1.00 0.00 C ATOM 383 CG TRP A 28 1.780 -1.523 -5.869 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.717 -1.007 -6.555 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.515 -2.921 -5.708 1.00 0.00 C ATOM 386 NE1 TRP A 28 -0.192 -2.000 -6.829 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.274 -3.183 -6.321 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.206 -3.977 -5.108 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.288 -4.457 -6.349 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.646 -5.240 -5.135 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.410 -5.472 -5.753 1.00 0.00 C ATOM 0 H TRP A 28 2.916 -1.375 -7.818 1.00 0.00 H new ATOM 0 HA TRP A 28 4.924 -0.190 -6.094 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.187 -1.063 -4.349 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.764 0.291 -5.378 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.607 0.029 -6.840 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.072 -1.876 -7.330 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.161 -3.809 -4.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.241 -4.637 -6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.170 -6.063 -4.672 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.000 -6.471 -5.759 1.00 0.00 H new ATOM 402 N TYR A 29 5.453 -3.063 -6.714 1.00 0.00 N ATOM 403 CA TYR A 29 6.143 -4.309 -6.402 1.00 0.00 C ATOM 404 C TYR A 29 7.624 -4.216 -6.758 1.00 0.00 C ATOM 405 O TYR A 29 8.016 -4.452 -7.900 1.00 0.00 O ATOM 406 CB TYR A 29 5.500 -5.475 -7.155 1.00 0.00 C ATOM 407 CG TYR A 29 5.821 -6.829 -6.563 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.038 -7.370 -5.551 1.00 0.00 C ATOM 409 CD2 TYR A 29 6.908 -7.566 -7.016 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.329 -8.606 -5.007 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.205 -8.804 -6.479 1.00 0.00 C ATOM 412 CZ TYR A 29 6.413 -9.320 -5.475 1.00 0.00 C ATOM 413 OH TYR A 29 6.706 -10.551 -4.936 1.00 0.00 O ATOM 0 H TYR A 29 5.411 -2.841 -7.709 1.00 0.00 H new ATOM 0 HA TYR A 29 6.055 -4.484 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.419 -5.339 -7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.832 -5.454 -8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.188 -6.815 -5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.531 -7.165 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.711 -9.011 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.053 -9.365 -6.844 1.00 0.00 H new ATOM 0 HH TYR A 29 6.242 -10.652 -4.079 1.00 0.00 H new ATOM 423 N ALA A 30 8.442 -3.869 -5.769 1.00 0.00 N ATOM 424 CA ALA A 30 9.880 -3.747 -5.975 1.00 0.00 C ATOM 425 C ALA A 30 10.610 -5.005 -5.516 1.00 0.00 C ATOM 426 O ALA A 30 11.716 -4.933 -4.984 1.00 0.00 O ATOM 427 CB ALA A 30 10.416 -2.526 -5.242 1.00 0.00 C ATOM 0 H ALA A 30 8.133 -3.668 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 30 10.060 -3.624 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.491 -2.447 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.925 -1.630 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.217 -2.626 -4.175 1.00 0.00 H new ATOM 433 N GLY A 31 9.981 -6.158 -5.726 1.00 0.00 N ATOM 434 CA GLY A 31 10.586 -7.415 -5.327 1.00 0.00 C ATOM 435 C GLY A 31 11.386 -7.293 -4.045 1.00 0.00 C ATOM 436 O GLY A 31 11.101 -6.456 -3.188 1.00 0.00 O ATOM 0 H GLY A 31 9.064 -6.243 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.806 -8.164 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.237 -7.771 -6.125 1.00 0.00 H new ATOM 440 N PRO A 32 12.412 -8.145 -3.900 1.00 0.00 N ATOM 441 CA PRO A 32 13.275 -8.149 -2.716 1.00 0.00 C ATOM 442 C PRO A 32 14.164 -6.912 -2.642 1.00 0.00 C ATOM 443 O PRO A 32 15.095 -6.757 -3.432 1.00 0.00 O ATOM 444 CB PRO A 32 14.126 -9.408 -2.902 1.00 0.00 C ATOM 445 CG PRO A 32 14.142 -9.640 -4.373 1.00 0.00 C ATOM 446 CD PRO A 32 12.808 -9.169 -4.882 1.00 0.00 C ATOM 0 HA PRO A 32 12.698 -8.140 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.134 -9.266 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.697 -10.258 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.956 -9.090 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.296 -10.695 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.885 -8.754 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.085 -9.983 -4.928 1.00 0.00 H new ATOM 454 N MET A 33 13.870 -6.034 -1.688 1.00 0.00 N ATOM 455 CA MET A 33 14.644 -4.811 -1.511 1.00 0.00 C ATOM 456 C MET A 33 14.921 -4.552 -0.033 1.00 0.00 C ATOM 457 O MET A 33 14.108 -4.889 0.827 1.00 0.00 O ATOM 458 CB MET A 33 13.903 -3.620 -2.119 1.00 0.00 C ATOM 459 CG MET A 33 14.665 -2.309 -2.011 1.00 0.00 C ATOM 460 SD MET A 33 14.234 -1.145 -3.318 1.00 0.00 S ATOM 461 CE MET A 33 12.460 -1.032 -3.099 1.00 0.00 C ATOM 0 H MET A 33 13.102 -6.147 -1.026 1.00 0.00 H new ATOM 0 HA MET A 33 15.597 -4.937 -2.025 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.700 -3.827 -3.170 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.938 -3.512 -1.623 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.461 -1.853 -1.042 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.735 -2.511 -2.049 1.00 0.00 H new ATOM 0 HE1 MET A 33 12.013 -0.571 -3.980 1.00 0.00 H new ATOM 0 HE2 MET A 33 12.046 -2.031 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.240 -0.425 -2.221 1.00 0.00 H new ATOM 471 N GLU A 34 16.072 -3.953 0.253 1.00 0.00 N ATOM 472 CA GLU A 34 16.455 -3.650 1.627 1.00 0.00 C ATOM 473 C GLU A 34 15.742 -2.397 2.127 1.00 0.00 C ATOM 474 O GLU A 34 15.106 -1.682 1.353 1.00 0.00 O ATOM 475 CB GLU A 34 17.970 -3.464 1.729 1.00 0.00 C ATOM 476 CG GLU A 34 18.762 -4.711 1.374 1.00 0.00 C ATOM 477 CD GLU A 34 20.260 -4.495 1.461 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.808 -4.588 2.579 1.00 0.00 O ATOM 479 OE2 GLU A 34 20.884 -4.234 0.412 1.00 0.00 O ATOM 0 H GLU A 34 16.756 -3.668 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 34 16.157 -4.491 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.273 -2.651 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.223 -3.160 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.476 -5.522 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.502 -5.026 0.363 1.00 0.00 H new ATOM 486 N ARG A 35 15.854 -2.138 3.426 1.00 0.00 N ATOM 487 CA ARG A 35 15.219 -0.973 4.030 1.00 0.00 C ATOM 488 C ARG A 35 15.727 0.316 3.390 1.00 0.00 C ATOM 489 O ARG A 35 14.961 1.062 2.780 1.00 0.00 O ATOM 490 CB ARG A 35 15.484 -0.945 5.536 1.00 0.00 C ATOM 491 CG ARG A 35 14.598 0.032 6.292 1.00 0.00 C ATOM 492 CD ARG A 35 14.576 -0.274 7.782 1.00 0.00 C ATOM 493 NE ARG A 35 13.640 -1.348 8.106 1.00 0.00 N ATOM 494 CZ ARG A 35 13.737 -2.104 9.194 1.00 0.00 C ATOM 495 NH1 ARG A 35 14.723 -1.905 10.057 1.00 0.00 N ATOM 496 NH2 ARG A 35 12.846 -3.061 9.419 1.00 0.00 N ATOM 0 H ARG A 35 16.378 -2.719 4.080 1.00 0.00 H new ATOM 0 HA ARG A 35 14.145 -1.046 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 35 15.335 -1.946 5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.528 -0.684 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.958 1.049 6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.584 -0.013 5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.577 -0.554 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.301 0.625 8.333 1.00 0.00 H new ATOM 0 HE ARG A 35 12.870 -1.527 7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.409 -1.170 9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.795 -2.487 10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.086 -3.216 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.921 -3.641 10.255 1.00 0.00 H new ATOM 510 N ALA A 36 17.024 0.571 3.533 1.00 0.00 N ATOM 511 CA ALA A 36 17.634 1.768 2.968 1.00 0.00 C ATOM 512 C ALA A 36 17.018 2.112 1.616 1.00 0.00 C ATOM 513 O ALA A 36 16.486 3.205 1.426 1.00 0.00 O ATOM 514 CB ALA A 36 19.138 1.579 2.831 1.00 0.00 C ATOM 0 H ALA A 36 17.672 -0.036 4.035 1.00 0.00 H new ATOM 0 HA ALA A 36 17.443 2.599 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.581 2.481 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.572 1.388 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.340 0.733 2.174 1.00 0.00 H new ATOM 520 N GLY A 37 17.094 1.172 0.679 1.00 0.00 N ATOM 521 CA GLY A 37 16.540 1.397 -0.643 1.00 0.00 C ATOM 522 C GLY A 37 15.187 2.078 -0.597 1.00 0.00 C ATOM 523 O GLY A 37 15.024 3.184 -1.111 1.00 0.00 O ATOM 0 H GLY A 37 17.529 0.259 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.231 2.008 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.445 0.443 -1.161 1.00 0.00 H new ATOM 527 N ALA A 38 14.213 1.416 0.019 1.00 0.00 N ATOM 528 CA ALA A 38 12.867 1.965 0.130 1.00 0.00 C ATOM 529 C ALA A 38 12.899 3.391 0.671 1.00 0.00 C ATOM 530 O ALA A 38 12.229 4.278 0.145 1.00 0.00 O ATOM 531 CB ALA A 38 12.008 1.080 1.021 1.00 0.00 C ATOM 0 H ALA A 38 14.331 0.499 0.449 1.00 0.00 H new ATOM 0 HA ALA A 38 12.429 1.992 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.006 1.502 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.950 0.079 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.452 1.024 2.015 1.00 0.00 H new ATOM 537 N GLU A 39 13.682 3.602 1.725 1.00 0.00 N ATOM 538 CA GLU A 39 13.799 4.920 2.337 1.00 0.00 C ATOM 539 C GLU A 39 14.472 5.904 1.384 1.00 0.00 C ATOM 540 O GLU A 39 14.309 7.118 1.512 1.00 0.00 O ATOM 541 CB GLU A 39 14.593 4.832 3.642 1.00 0.00 C ATOM 542 CG GLU A 39 14.006 3.855 4.647 1.00 0.00 C ATOM 543 CD GLU A 39 14.469 4.128 6.065 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.554 3.638 6.440 1.00 0.00 O ATOM 545 OE2 GLU A 39 13.746 4.833 6.799 1.00 0.00 O ATOM 0 H GLU A 39 14.244 2.878 2.172 1.00 0.00 H new ATOM 0 HA GLU A 39 12.794 5.282 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.617 4.535 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.641 5.822 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.918 3.909 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.286 2.839 4.367 1.00 0.00 H new ATOM 552 N SER A 40 15.229 5.372 0.430 1.00 0.00 N ATOM 553 CA SER A 40 15.930 6.203 -0.542 1.00 0.00 C ATOM 554 C SER A 40 15.097 6.379 -1.807 1.00 0.00 C ATOM 555 O SER A 40 15.322 7.306 -2.587 1.00 0.00 O ATOM 556 CB SER A 40 17.284 5.582 -0.891 1.00 0.00 C ATOM 557 OG SER A 40 17.926 6.308 -1.926 1.00 0.00 O ATOM 0 H SER A 40 15.373 4.369 0.309 1.00 0.00 H new ATOM 0 HA SER A 40 16.092 7.184 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 40 17.919 5.566 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.144 4.547 -1.202 1.00 0.00 H new ATOM 0 HG SER A 40 18.790 5.892 -2.130 1.00 0.00 H new ATOM 563 N ILE A 41 14.135 5.485 -2.004 1.00 0.00 N ATOM 564 CA ILE A 41 13.267 5.541 -3.174 1.00 0.00 C ATOM 565 C ILE A 41 12.263 6.683 -3.058 1.00 0.00 C ATOM 566 O ILE A 41 12.227 7.581 -3.900 1.00 0.00 O ATOM 567 CB ILE A 41 12.504 4.219 -3.374 1.00 0.00 C ATOM 568 CG1 ILE A 41 13.433 3.151 -3.955 1.00 0.00 C ATOM 569 CG2 ILE A 41 11.302 4.433 -4.282 1.00 0.00 C ATOM 570 CD1 ILE A 41 12.832 1.763 -3.956 1.00 0.00 C ATOM 0 H ILE A 41 13.936 4.712 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 41 13.911 5.712 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 41 12.146 3.874 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.695 3.426 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 41 14.360 3.136 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.773 3.489 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.632 5.165 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.639 4.798 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.546 1.058 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.596 1.468 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.920 1.762 -4.554 1.00 0.00 H new ATOM 582 N LEU A 42 11.448 6.643 -2.010 1.00 0.00 N ATOM 583 CA LEU A 42 10.443 7.675 -1.781 1.00 0.00 C ATOM 584 C LEU A 42 11.080 8.938 -1.211 1.00 0.00 C ATOM 585 O LEU A 42 10.403 9.942 -0.994 1.00 0.00 O ATOM 586 CB LEU A 42 9.362 7.160 -0.829 1.00 0.00 C ATOM 587 CG LEU A 42 8.595 5.921 -1.291 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.569 5.844 -2.810 1.00 0.00 C ATOM 589 CD2 LEU A 42 9.213 4.661 -0.702 1.00 0.00 C ATOM 0 H LEU A 42 11.463 5.906 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 42 9.986 7.922 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.828 6.937 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.645 7.963 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 42 7.568 5.999 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.019 4.956 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.080 6.732 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.590 5.789 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.654 3.789 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.250 4.577 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.178 4.713 0.386 1.00 0.00 H new ATOM 601 N ALA A 43 12.386 8.881 -0.974 1.00 0.00 N ATOM 602 CA ALA A 43 13.115 10.022 -0.433 1.00 0.00 C ATOM 603 C ALA A 43 12.869 11.275 -1.266 1.00 0.00 C ATOM 604 O ALA A 43 12.711 12.369 -0.726 1.00 0.00 O ATOM 605 CB ALA A 43 14.603 9.714 -0.367 1.00 0.00 C ATOM 0 H ALA A 43 12.961 8.057 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 43 12.749 10.210 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.135 10.574 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.767 8.849 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.974 9.497 -1.369 1.00 0.00 H new ATOM 611 N ASN A 44 12.838 11.107 -2.584 1.00 0.00 N ATOM 612 CA ASN A 44 12.612 12.226 -3.492 1.00 0.00 C ATOM 613 C ASN A 44 11.160 12.263 -3.959 1.00 0.00 C ATOM 614 O ASN A 44 10.635 13.322 -4.305 1.00 0.00 O ATOM 615 CB ASN A 44 13.546 12.126 -4.700 1.00 0.00 C ATOM 616 CG ASN A 44 15.006 12.058 -4.298 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.670 11.041 -4.500 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.513 13.143 -3.724 1.00 0.00 N ATOM 0 H ASN A 44 12.966 10.207 -3.047 1.00 0.00 H new ATOM 0 HA ASN A 44 12.825 13.149 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.290 11.240 -5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.390 12.988 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.490 13.156 -3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.925 13.964 -3.576 1.00 0.00 H new ATOM 625 N ARG A 45 10.517 11.101 -3.966 1.00 0.00 N ATOM 626 CA ARG A 45 9.126 11.000 -4.391 1.00 0.00 C ATOM 627 C ARG A 45 8.251 11.990 -3.628 1.00 0.00 C ATOM 628 O ARG A 45 8.705 12.634 -2.683 1.00 0.00 O ATOM 629 CB ARG A 45 8.607 9.576 -4.179 1.00 0.00 C ATOM 630 CG ARG A 45 9.377 8.525 -4.963 1.00 0.00 C ATOM 631 CD ARG A 45 9.315 8.789 -6.459 1.00 0.00 C ATOM 632 NE ARG A 45 7.944 8.988 -6.923 1.00 0.00 N ATOM 633 CZ ARG A 45 7.632 9.658 -8.027 1.00 0.00 C ATOM 634 NH1 ARG A 45 8.588 10.191 -8.775 1.00 0.00 N ATOM 635 NH2 ARG A 45 6.362 9.797 -8.384 1.00 0.00 N ATOM 0 H ARG A 45 10.937 10.216 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 45 9.079 11.242 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.657 9.334 -3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.556 9.534 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.417 8.516 -4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.967 7.538 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.910 9.671 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.761 7.950 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 45 7.185 8.591 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.566 10.087 -8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.346 10.705 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.624 9.389 -7.811 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.124 10.312 -9.232 1.00 0.00 H new ATOM 649 N SER A 46 6.994 12.106 -4.045 1.00 0.00 N ATOM 650 CA SER A 46 6.057 13.020 -3.404 1.00 0.00 C ATOM 651 C SER A 46 5.265 12.309 -2.311 1.00 0.00 C ATOM 652 O SER A 46 4.881 11.149 -2.463 1.00 0.00 O ATOM 653 CB SER A 46 5.099 13.612 -4.440 1.00 0.00 C ATOM 654 OG SER A 46 5.567 14.865 -4.910 1.00 0.00 O ATOM 0 H SER A 46 6.601 11.578 -4.824 1.00 0.00 H new ATOM 0 HA SER A 46 6.630 13.826 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.993 12.923 -5.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.110 13.732 -3.998 1.00 0.00 H new ATOM 0 HG SER A 46 4.938 15.222 -5.572 1.00 0.00 H new ATOM 660 N ASP A 47 5.025 13.012 -1.210 1.00 0.00 N ATOM 661 CA ASP A 47 4.278 12.450 -0.091 1.00 0.00 C ATOM 662 C ASP A 47 3.099 11.619 -0.588 1.00 0.00 C ATOM 663 O ASP A 47 2.233 12.118 -1.305 1.00 0.00 O ATOM 664 CB ASP A 47 3.780 13.565 0.829 1.00 0.00 C ATOM 665 CG ASP A 47 3.058 13.029 2.050 1.00 0.00 C ATOM 666 OD1 ASP A 47 1.830 12.819 1.968 1.00 0.00 O ATOM 667 OD2 ASP A 47 3.722 12.821 3.088 1.00 0.00 O ATOM 0 H ASP A 47 5.337 13.973 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 47 4.948 11.799 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.626 14.173 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.109 14.219 0.272 1.00 0.00 H new ATOM 672 N GLY A 48 3.073 10.347 -0.201 1.00 0.00 N ATOM 673 CA GLY A 48 1.997 9.467 -0.617 1.00 0.00 C ATOM 674 C GLY A 48 2.490 8.303 -1.453 1.00 0.00 C ATOM 675 O GLY A 48 1.801 7.292 -1.594 1.00 0.00 O ATOM 0 H GLY A 48 3.778 9.911 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.483 9.085 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.266 10.038 -1.190 1.00 0.00 H new ATOM 679 N THR A 49 3.688 8.444 -2.013 1.00 0.00 N ATOM 680 CA THR A 49 4.272 7.397 -2.842 1.00 0.00 C ATOM 681 C THR A 49 4.557 6.142 -2.024 1.00 0.00 C ATOM 682 O THR A 49 5.405 6.150 -1.132 1.00 0.00 O ATOM 683 CB THR A 49 5.579 7.870 -3.507 1.00 0.00 C ATOM 684 OG1 THR A 49 5.412 9.194 -4.027 1.00 0.00 O ATOM 685 CG2 THR A 49 5.989 6.927 -4.627 1.00 0.00 C ATOM 0 H THR A 49 4.272 9.273 -1.907 1.00 0.00 H new ATOM 0 HA THR A 49 3.542 7.164 -3.617 1.00 0.00 H new ATOM 0 HB THR A 49 6.365 7.873 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.579 9.848 -3.316 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.914 7.282 -5.081 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.144 5.927 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.203 6.895 -5.382 1.00 0.00 H new ATOM 693 N PHE A 50 3.844 5.065 -2.334 1.00 0.00 N ATOM 694 CA PHE A 50 4.020 3.802 -1.627 1.00 0.00 C ATOM 695 C PHE A 50 4.734 2.781 -2.508 1.00 0.00 C ATOM 696 O PHE A 50 4.642 2.830 -3.736 1.00 0.00 O ATOM 697 CB PHE A 50 2.665 3.249 -1.182 1.00 0.00 C ATOM 698 CG PHE A 50 1.861 2.656 -2.304 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.235 3.473 -3.232 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.732 1.283 -2.431 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.494 2.930 -4.265 1.00 0.00 C ATOM 702 CE2 PHE A 50 0.993 0.734 -3.462 1.00 0.00 C ATOM 703 CZ PHE A 50 0.374 1.559 -4.381 1.00 0.00 C ATOM 0 H PHE A 50 3.139 5.041 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 50 4.635 3.990 -0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.825 2.487 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.090 4.050 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.327 4.546 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.215 0.633 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.009 3.577 -4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.900 -0.338 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.203 1.133 -5.189 1.00 0.00 H new ATOM 713 N LEU A 51 5.446 1.856 -1.873 1.00 0.00 N ATOM 714 CA LEU A 51 6.177 0.822 -2.598 1.00 0.00 C ATOM 715 C LEU A 51 6.335 -0.432 -1.745 1.00 0.00 C ATOM 716 O LEU A 51 6.749 -0.361 -0.588 1.00 0.00 O ATOM 717 CB LEU A 51 7.552 1.343 -3.019 1.00 0.00 C ATOM 718 CG LEU A 51 8.661 1.233 -1.972 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.280 -0.156 -1.993 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.724 2.296 -2.207 1.00 0.00 C ATOM 0 H LEU A 51 5.533 1.801 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 51 5.605 0.563 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.866 0.801 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.450 2.391 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 51 8.222 1.398 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.067 -0.215 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.513 -0.899 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.704 -0.351 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.505 2.202 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.159 2.163 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.271 3.285 -2.139 1.00 0.00 H new ATOM 732 N VAL A 52 6.004 -1.582 -2.325 1.00 0.00 N ATOM 733 CA VAL A 52 6.112 -2.853 -1.619 1.00 0.00 C ATOM 734 C VAL A 52 7.412 -3.568 -1.971 1.00 0.00 C ATOM 735 O VAL A 52 7.892 -3.485 -3.101 1.00 0.00 O ATOM 736 CB VAL A 52 4.926 -3.779 -1.947 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.955 -5.017 -1.063 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.609 -3.034 -1.790 1.00 0.00 C ATOM 0 H VAL A 52 5.659 -1.659 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 52 6.102 -2.625 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 52 5.015 -4.100 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.110 -5.660 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.885 -5.561 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.891 -4.718 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.782 -3.704 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.510 -2.683 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.590 -2.181 -2.469 1.00 0.00 H new ATOM 748 N ARG A 53 7.978 -4.269 -0.994 1.00 0.00 N ATOM 749 CA ARG A 53 9.223 -4.998 -1.199 1.00 0.00 C ATOM 750 C ARG A 53 9.259 -6.264 -0.348 1.00 0.00 C ATOM 751 O ARG A 53 8.473 -6.417 0.586 1.00 0.00 O ATOM 752 CB ARG A 53 10.421 -4.109 -0.860 1.00 0.00 C ATOM 753 CG ARG A 53 10.412 -3.594 0.570 1.00 0.00 C ATOM 754 CD ARG A 53 11.418 -2.470 0.763 1.00 0.00 C ATOM 755 NE ARG A 53 11.475 -2.020 2.151 1.00 0.00 N ATOM 756 CZ ARG A 53 12.015 -2.733 3.133 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.541 -3.923 2.881 1.00 0.00 N ATOM 758 NH2 ARG A 53 12.029 -2.256 4.371 1.00 0.00 N ATOM 0 H ARG A 53 7.594 -4.347 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 53 9.277 -5.285 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.339 -4.671 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.437 -3.260 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.414 -3.238 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.642 -4.411 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.406 -2.810 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.152 -1.631 0.120 1.00 0.00 H new ATOM 0 HE ARG A 53 11.078 -1.108 2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.532 -4.294 1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.955 -4.468 3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.625 -1.341 4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.444 -2.805 5.124 1.00 0.00 H new ATOM 772 N GLN A 54 10.176 -7.168 -0.679 1.00 0.00 N ATOM 773 CA GLN A 54 10.312 -8.421 0.054 1.00 0.00 C ATOM 774 C GLN A 54 11.465 -8.346 1.050 1.00 0.00 C ATOM 775 O GLN A 54 12.301 -7.445 0.980 1.00 0.00 O ATOM 776 CB GLN A 54 10.536 -9.582 -0.916 1.00 0.00 C ATOM 777 CG GLN A 54 9.948 -10.899 -0.435 1.00 0.00 C ATOM 778 CD GLN A 54 9.549 -11.812 -1.577 1.00 0.00 C ATOM 779 OE1 GLN A 54 8.365 -12.074 -1.794 1.00 0.00 O ATOM 780 NE2 GLN A 54 10.537 -12.303 -2.316 1.00 0.00 N ATOM 0 H GLN A 54 10.835 -7.056 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 54 9.388 -8.592 0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.097 -9.328 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.607 -9.709 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.677 -11.409 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.075 -10.697 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.504 -12.060 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.329 -12.923 -3.099 1.00 0.00 H new ATOM 789 N ARG A 55 11.502 -9.297 1.978 1.00 0.00 N ATOM 790 CA ARG A 55 12.551 -9.337 2.989 1.00 0.00 C ATOM 791 C ARG A 55 13.859 -9.852 2.396 1.00 0.00 C ATOM 792 O ARG A 55 14.517 -10.716 2.975 1.00 0.00 O ATOM 793 CB ARG A 55 12.125 -10.224 4.161 1.00 0.00 C ATOM 794 CG ARG A 55 12.726 -9.805 5.492 1.00 0.00 C ATOM 795 CD ARG A 55 12.122 -8.502 5.991 1.00 0.00 C ATOM 796 NE ARG A 55 12.963 -7.859 6.997 1.00 0.00 N ATOM 797 CZ ARG A 55 14.174 -7.375 6.744 1.00 0.00 C ATOM 798 NH1 ARG A 55 14.683 -7.462 5.523 1.00 0.00 N ATOM 799 NH2 ARG A 55 14.878 -6.804 7.713 1.00 0.00 N ATOM 0 H ARG A 55 10.818 -10.050 2.050 1.00 0.00 H new ATOM 0 HA ARG A 55 12.712 -8.321 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.038 -10.208 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.413 -11.254 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.561 -10.590 6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.805 -9.690 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.979 -7.823 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.136 -8.698 6.414 1.00 0.00 H new ATOM 0 HE ARG A 55 12.600 -7.777 7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.145 -7.901 4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.613 -7.090 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.489 -6.736 8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.808 -6.433 7.517 1.00 0.00 H new ATOM 813 N VAL A 56 14.229 -9.316 1.238 1.00 0.00 N ATOM 814 CA VAL A 56 15.458 -9.720 0.566 1.00 0.00 C ATOM 815 C VAL A 56 15.546 -11.238 0.449 1.00 0.00 C ATOM 816 O VAL A 56 16.637 -11.802 0.358 1.00 0.00 O ATOM 817 CB VAL A 56 16.702 -9.201 1.311 1.00 0.00 C ATOM 818 CG1 VAL A 56 16.963 -10.031 2.559 1.00 0.00 C ATOM 819 CG2 VAL A 56 17.915 -9.208 0.393 1.00 0.00 C ATOM 0 H VAL A 56 13.695 -8.600 0.745 1.00 0.00 H new ATOM 0 HA VAL A 56 15.432 -9.282 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 56 16.515 -8.173 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.846 -9.649 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.102 -9.969 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.129 -11.071 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.785 -8.838 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.106 -10.225 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.724 -8.566 -0.467 1.00 0.00 H new ATOM 829 N LYS A 57 14.391 -11.894 0.450 1.00 0.00 N ATOM 830 CA LYS A 57 14.336 -13.347 0.342 1.00 0.00 C ATOM 831 C LYS A 57 13.075 -13.790 -0.394 1.00 0.00 C ATOM 832 O LYS A 57 12.036 -13.134 -0.316 1.00 0.00 O ATOM 833 CB LYS A 57 14.377 -13.984 1.733 1.00 0.00 C ATOM 834 CG LYS A 57 15.774 -14.060 2.325 1.00 0.00 C ATOM 835 CD LYS A 57 16.531 -15.275 1.815 1.00 0.00 C ATOM 836 CE LYS A 57 17.889 -15.408 2.487 1.00 0.00 C ATOM 837 NZ LYS A 57 17.763 -15.615 3.956 1.00 0.00 N ATOM 0 H LYS A 57 13.480 -11.442 0.524 1.00 0.00 H new ATOM 0 HA LYS A 57 15.204 -13.677 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.737 -13.412 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.960 -14.990 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 57 16.326 -13.154 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.708 -14.102 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.943 -16.175 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.664 -15.196 0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 57 18.431 -16.245 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 57 18.478 -14.511 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.665 -15.967 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.523 -14.713 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.013 -16.310 4.146 1.00 0.00 H new ATOM 851 N ASP A 58 13.174 -14.906 -1.108 1.00 0.00 N ATOM 852 CA ASP A 58 12.041 -15.438 -1.856 1.00 0.00 C ATOM 853 C ASP A 58 10.783 -15.461 -0.994 1.00 0.00 C ATOM 854 O ASP A 58 10.813 -15.904 0.153 1.00 0.00 O ATOM 855 CB ASP A 58 12.353 -16.848 -2.362 1.00 0.00 C ATOM 856 CG ASP A 58 13.259 -16.839 -3.577 1.00 0.00 C ATOM 857 OD1 ASP A 58 14.014 -15.859 -3.747 1.00 0.00 O ATOM 858 OD2 ASP A 58 13.213 -17.812 -4.359 1.00 0.00 O ATOM 0 H ASP A 58 14.027 -15.460 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 58 11.863 -14.785 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.825 -17.421 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.421 -17.356 -2.611 1.00 0.00 H new ATOM 863 N ALA A 59 9.679 -14.978 -1.555 1.00 0.00 N ATOM 864 CA ALA A 59 8.410 -14.944 -0.838 1.00 0.00 C ATOM 865 C ALA A 59 8.627 -14.688 0.650 1.00 0.00 C ATOM 866 O ALA A 59 8.043 -15.363 1.497 1.00 0.00 O ATOM 867 CB ALA A 59 7.651 -16.246 -1.047 1.00 0.00 C ATOM 0 H ALA A 59 9.638 -14.605 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 59 7.816 -14.122 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.706 -16.207 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.455 -16.386 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.248 -17.079 -0.675 1.00 0.00 H new ATOM 873 N ALA A 60 9.471 -13.710 0.960 1.00 0.00 N ATOM 874 CA ALA A 60 9.764 -13.365 2.346 1.00 0.00 C ATOM 875 C ALA A 60 8.774 -12.333 2.875 1.00 0.00 C ATOM 876 O ALA A 60 8.232 -11.532 2.114 1.00 0.00 O ATOM 877 CB ALA A 60 11.188 -12.845 2.471 1.00 0.00 C ATOM 0 H ALA A 60 9.964 -13.142 0.271 1.00 0.00 H new ATOM 0 HA ALA A 60 9.665 -14.268 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.393 -12.591 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.886 -13.614 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.307 -11.957 1.851 1.00 0.00 H new ATOM 883 N GLU A 61 8.543 -12.358 4.184 1.00 0.00 N ATOM 884 CA GLU A 61 7.616 -11.425 4.814 1.00 0.00 C ATOM 885 C GLU A 61 7.626 -10.079 4.094 1.00 0.00 C ATOM 886 O GLU A 61 8.494 -9.240 4.333 1.00 0.00 O ATOM 887 CB GLU A 61 7.977 -11.229 6.288 1.00 0.00 C ATOM 888 CG GLU A 61 9.397 -10.733 6.506 1.00 0.00 C ATOM 889 CD GLU A 61 9.868 -10.923 7.935 1.00 0.00 C ATOM 890 OE1 GLU A 61 9.106 -10.578 8.862 1.00 0.00 O ATOM 891 OE2 GLU A 61 10.999 -11.417 8.125 1.00 0.00 O ATOM 0 H GLU A 61 8.985 -13.014 4.828 1.00 0.00 H new ATOM 0 HA GLU A 61 6.614 -11.847 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.281 -10.518 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.847 -12.175 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.070 -11.262 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.453 -9.676 6.247 1.00 0.00 H new ATOM 898 N PHE A 62 6.654 -9.881 3.209 1.00 0.00 N ATOM 899 CA PHE A 62 6.550 -8.639 2.452 1.00 0.00 C ATOM 900 C PHE A 62 6.422 -7.441 3.388 1.00 0.00 C ATOM 901 O PHE A 62 6.171 -7.597 4.583 1.00 0.00 O ATOM 902 CB PHE A 62 5.348 -8.692 1.506 1.00 0.00 C ATOM 903 CG PHE A 62 5.558 -9.591 0.321 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.351 -10.957 0.426 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.960 -9.069 -0.898 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.544 -11.786 -0.663 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.154 -9.894 -1.990 1.00 0.00 C ATOM 908 CZ PHE A 62 5.944 -11.254 -1.873 1.00 0.00 C ATOM 0 H PHE A 62 5.927 -10.565 2.999 1.00 0.00 H new ATOM 0 HA PHE A 62 7.461 -8.524 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.474 -9.033 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.128 -7.684 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.035 -11.379 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.124 -8.006 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.382 -12.850 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.470 -9.475 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.092 -11.900 -2.726 1.00 0.00 H new ATOM 918 N ALA A 63 6.598 -6.245 2.836 1.00 0.00 N ATOM 919 CA ALA A 63 6.501 -5.020 3.619 1.00 0.00 C ATOM 920 C ALA A 63 6.177 -3.824 2.731 1.00 0.00 C ATOM 921 O ALA A 63 6.748 -3.668 1.651 1.00 0.00 O ATOM 922 CB ALA A 63 7.795 -4.778 4.382 1.00 0.00 C ATOM 0 H ALA A 63 6.809 -6.099 1.849 1.00 0.00 H new ATOM 0 HA ALA A 63 5.687 -5.139 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.709 -3.860 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.983 -5.616 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.621 -4.685 3.677 1.00 0.00 H new ATOM 928 N ILE A 64 5.257 -2.983 3.191 1.00 0.00 N ATOM 929 CA ILE A 64 4.858 -1.801 2.437 1.00 0.00 C ATOM 930 C ILE A 64 5.446 -0.534 3.050 1.00 0.00 C ATOM 931 O ILE A 64 5.380 -0.330 4.262 1.00 0.00 O ATOM 932 CB ILE A 64 3.325 -1.664 2.375 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.724 -2.790 1.531 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.937 -0.306 1.810 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.328 -3.185 1.957 1.00 0.00 C ATOM 0 H ILE A 64 4.774 -3.098 4.082 1.00 0.00 H new ATOM 0 HA ILE A 64 5.245 -1.926 1.426 1.00 0.00 H new ATOM 0 HB ILE A 64 2.927 -1.742 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.702 -2.478 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.374 -3.663 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.851 -0.224 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.338 0.482 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.344 -0.201 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.965 -3.988 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.347 -3.528 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.664 -2.324 1.872 1.00 0.00 H new ATOM 947 N SER A 65 6.019 0.315 2.203 1.00 0.00 N ATOM 948 CA SER A 65 6.620 1.562 2.660 1.00 0.00 C ATOM 949 C SER A 65 6.217 2.723 1.757 1.00 0.00 C ATOM 950 O SER A 65 6.297 2.628 0.532 1.00 0.00 O ATOM 951 CB SER A 65 8.145 1.435 2.696 1.00 0.00 C ATOM 952 OG SER A 65 8.543 0.264 3.388 1.00 0.00 O ATOM 0 H SER A 65 6.080 0.162 1.196 1.00 0.00 H new ATOM 0 HA SER A 65 6.255 1.764 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.535 1.410 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.575 2.312 3.181 1.00 0.00 H new ATOM 0 HG SER A 65 9.469 0.363 3.692 1.00 0.00 H new ATOM 958 N ILE A 66 5.783 3.819 2.371 1.00 0.00 N ATOM 959 CA ILE A 66 5.368 4.999 1.623 1.00 0.00 C ATOM 960 C ILE A 66 5.928 6.272 2.250 1.00 0.00 C ATOM 961 O ILE A 66 6.455 6.250 3.362 1.00 0.00 O ATOM 962 CB ILE A 66 3.834 5.109 1.550 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.313 6.034 2.652 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.199 3.731 1.664 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.649 5.559 4.048 1.00 0.00 C ATOM 0 H ILE A 66 5.710 3.914 3.384 1.00 0.00 H new ATOM 0 HA ILE A 66 5.765 4.888 0.614 1.00 0.00 H new ATOM 0 HB ILE A 66 3.561 5.536 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.730 7.031 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.231 6.124 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.114 3.825 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.549 3.100 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.478 3.280 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.249 6.263 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.209 4.575 4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.731 5.496 4.160 1.00 0.00 H new ATOM 977 N LYS A 67 5.809 7.382 1.529 1.00 0.00 N ATOM 978 CA LYS A 67 6.300 8.666 2.013 1.00 0.00 C ATOM 979 C LYS A 67 5.258 9.349 2.894 1.00 0.00 C ATOM 980 O LYS A 67 4.171 9.695 2.431 1.00 0.00 O ATOM 981 CB LYS A 67 6.663 9.574 0.836 1.00 0.00 C ATOM 982 CG LYS A 67 7.491 10.784 1.234 1.00 0.00 C ATOM 983 CD LYS A 67 8.861 10.376 1.750 1.00 0.00 C ATOM 984 CE LYS A 67 9.687 11.588 2.154 1.00 0.00 C ATOM 985 NZ LYS A 67 10.517 12.093 1.025 1.00 0.00 N ATOM 0 H LYS A 67 5.376 7.418 0.606 1.00 0.00 H new ATOM 0 HA LYS A 67 7.193 8.483 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.215 8.993 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.746 9.914 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.607 11.445 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.965 11.349 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.746 9.711 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.389 9.815 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.024 12.381 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.334 11.325 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.488 12.262 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.529 11.388 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.114 12.983 0.668 1.00 0.00 H new ATOM 999 N TYR A 68 5.598 9.543 4.163 1.00 0.00 N ATOM 1000 CA TYR A 68 4.692 10.184 5.108 1.00 0.00 C ATOM 1001 C TYR A 68 5.464 11.034 6.113 1.00 0.00 C ATOM 1002 O TYR A 68 6.511 10.625 6.612 1.00 0.00 O ATOM 1003 CB TYR A 68 3.861 9.132 5.844 1.00 0.00 C ATOM 1004 CG TYR A 68 2.561 9.668 6.401 1.00 0.00 C ATOM 1005 CD1 TYR A 68 1.424 9.753 5.606 1.00 0.00 C ATOM 1006 CD2 TYR A 68 2.469 10.089 7.722 1.00 0.00 C ATOM 1007 CE1 TYR A 68 0.235 10.242 6.111 1.00 0.00 C ATOM 1008 CE2 TYR A 68 1.284 10.578 8.235 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.170 10.653 7.426 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.013 11.140 7.932 1.00 0.00 O ATOM 0 H TYR A 68 6.495 9.265 4.561 1.00 0.00 H new ATOM 0 HA TYR A 68 4.024 10.837 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.643 8.311 5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.454 8.719 6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.471 9.431 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.340 10.033 8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.639 10.302 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.230 10.900 9.264 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.753 10.568 7.641 1.00 0.00 H new ATOM 1020 N ASN A 69 4.937 12.218 6.405 1.00 0.00 N ATOM 1021 CA ASN A 69 5.576 13.127 7.350 1.00 0.00 C ATOM 1022 C ASN A 69 7.043 13.341 6.993 1.00 0.00 C ATOM 1023 O ASN A 69 7.883 13.549 7.868 1.00 0.00 O ATOM 1024 CB ASN A 69 5.461 12.578 8.774 1.00 0.00 C ATOM 1025 CG ASN A 69 5.357 13.679 9.811 1.00 0.00 C ATOM 1026 OD1 ASN A 69 4.400 13.730 10.585 1.00 0.00 O ATOM 1027 ND2 ASN A 69 6.343 14.567 9.832 1.00 0.00 N ATOM 0 H ASN A 69 4.069 12.571 6.001 1.00 0.00 H new ATOM 0 HA ASN A 69 5.064 14.088 7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.584 11.934 8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.330 11.958 8.993 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.327 15.330 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.116 14.486 9.172 1.00 0.00 H new ATOM 1034 N VAL A 70 7.346 13.288 5.699 1.00 0.00 N ATOM 1035 CA VAL A 70 8.711 13.477 5.224 1.00 0.00 C ATOM 1036 C VAL A 70 9.618 12.345 5.693 1.00 0.00 C ATOM 1037 O VAL A 70 10.831 12.517 5.809 1.00 0.00 O ATOM 1038 CB VAL A 70 9.292 14.819 5.708 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.185 15.847 5.887 1.00 0.00 C ATOM 1040 CG2 VAL A 70 10.068 14.628 7.002 1.00 0.00 C ATOM 0 H VAL A 70 6.663 13.116 4.961 1.00 0.00 H new ATOM 0 HA VAL A 70 8.670 13.478 4.135 1.00 0.00 H new ATOM 0 HB VAL A 70 9.981 15.191 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.615 16.788 6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.677 16.005 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.469 15.486 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.471 15.586 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.403 14.233 7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.887 13.928 6.835 1.00 0.00 H new ATOM 1050 N GLU A 71 9.021 11.188 5.961 1.00 0.00 N ATOM 1051 CA GLU A 71 9.776 10.027 6.418 1.00 0.00 C ATOM 1052 C GLU A 71 9.232 8.745 5.795 1.00 0.00 C ATOM 1053 O GLU A 71 8.027 8.494 5.813 1.00 0.00 O ATOM 1054 CB GLU A 71 9.725 9.927 7.944 1.00 0.00 C ATOM 1055 CG GLU A 71 8.427 10.439 8.545 1.00 0.00 C ATOM 1056 CD GLU A 71 8.488 10.550 10.056 1.00 0.00 C ATOM 1057 OE1 GLU A 71 9.181 9.723 10.685 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.842 11.464 10.610 1.00 0.00 O ATOM 0 H GLU A 71 8.018 11.030 5.870 1.00 0.00 H new ATOM 0 HA GLU A 71 10.812 10.152 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.865 8.886 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.558 10.491 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.196 11.416 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.613 9.770 8.266 1.00 0.00 H new ATOM 1065 N VAL A 72 10.130 7.936 5.242 1.00 0.00 N ATOM 1066 CA VAL A 72 9.743 6.679 4.613 1.00 0.00 C ATOM 1067 C VAL A 72 9.393 5.626 5.658 1.00 0.00 C ATOM 1068 O VAL A 72 10.277 4.997 6.242 1.00 0.00 O ATOM 1069 CB VAL A 72 10.864 6.135 3.707 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.446 4.818 3.072 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.230 7.158 2.641 1.00 0.00 C ATOM 0 H VAL A 72 11.131 8.129 5.217 1.00 0.00 H new ATOM 0 HA VAL A 72 8.864 6.888 4.004 1.00 0.00 H new ATOM 0 HB VAL A 72 11.746 5.951 4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.251 4.449 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.238 4.087 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.550 4.972 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.023 6.758 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.354 7.375 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.575 8.075 3.120 1.00 0.00 H new ATOM 1081 N LYS A 73 8.099 5.438 5.891 1.00 0.00 N ATOM 1082 CA LYS A 73 7.630 4.459 6.865 1.00 0.00 C ATOM 1083 C LYS A 73 7.572 3.064 6.250 1.00 0.00 C ATOM 1084 O LYS A 73 7.489 2.948 5.028 1.00 0.00 O ATOM 1085 CB LYS A 73 6.249 4.854 7.391 1.00 0.00 C ATOM 1086 CG LYS A 73 6.146 6.316 7.792 1.00 0.00 C ATOM 1087 CD LYS A 73 6.865 6.586 9.103 1.00 0.00 C ATOM 1088 CE LYS A 73 6.213 7.726 9.871 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.796 7.882 11.232 1.00 0.00 N ATOM 0 H LYS A 73 7.355 5.951 5.418 1.00 0.00 H new ATOM 0 HA LYS A 73 8.337 4.442 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.503 4.643 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.006 4.232 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.572 6.941 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.097 6.595 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.860 5.684 9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.908 6.830 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.335 8.655 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.142 7.542 9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.165 8.468 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.905 6.946 11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.726 8.341 11.161 1.00 0.00 H new ATOM 1103 N HIS A 74 7.615 2.048 7.099 1.00 0.00 N ATOM 1104 CA HIS A 74 7.565 0.675 6.626 1.00 0.00 C ATOM 1105 C HIS A 74 6.520 -0.105 7.426 1.00 0.00 C ATOM 1106 O HIS A 74 6.336 0.093 8.627 1.00 0.00 O ATOM 1107 CB HIS A 74 8.952 0.032 6.676 1.00 0.00 C ATOM 1108 CG HIS A 74 10.074 0.961 6.280 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.662 0.935 5.027 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.709 1.943 6.982 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.607 1.862 4.989 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.635 2.486 6.202 1.00 0.00 N ATOM 0 H HIS A 74 7.684 2.148 8.112 1.00 0.00 H new ATOM 0 HA HIS A 74 7.259 0.658 5.580 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.136 -0.333 7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.963 -0.836 6.017 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.494 2.230 8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.244 2.085 4.146 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.264 3.245 6.466 1.00 0.00 H new ATOM 1120 N ILE A 75 5.835 -1.005 6.728 1.00 0.00 N ATOM 1121 CA ILE A 75 4.805 -1.829 7.348 1.00 0.00 C ATOM 1122 C ILE A 75 5.048 -3.310 7.075 1.00 0.00 C ATOM 1123 O ILE A 75 5.263 -3.715 5.932 1.00 0.00 O ATOM 1124 CB ILE A 75 3.400 -1.450 6.843 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.147 0.045 7.048 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.340 -2.275 7.556 1.00 0.00 C ATOM 1127 CD1 ILE A 75 1.754 0.482 6.654 1.00 0.00 C ATOM 0 H ILE A 75 5.975 -1.182 5.733 1.00 0.00 H new ATOM 0 HA ILE A 75 4.858 -1.645 8.421 1.00 0.00 H new ATOM 0 HB ILE A 75 3.343 -1.666 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.314 0.293 8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.875 0.611 6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.353 -1.995 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.513 -3.334 7.363 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.394 -2.088 8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.646 1.553 6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.590 0.266 5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.020 -0.057 7.253 1.00 0.00 H new ATOM 1139 N LYS A 76 5.011 -4.114 8.132 1.00 0.00 N ATOM 1140 CA LYS A 76 5.224 -5.551 8.008 1.00 0.00 C ATOM 1141 C LYS A 76 3.982 -6.239 7.450 1.00 0.00 C ATOM 1142 O LYS A 76 2.860 -5.942 7.860 1.00 0.00 O ATOM 1143 CB LYS A 76 5.586 -6.153 9.367 1.00 0.00 C ATOM 1144 CG LYS A 76 5.382 -7.656 9.441 1.00 0.00 C ATOM 1145 CD LYS A 76 5.991 -8.241 10.704 1.00 0.00 C ATOM 1146 CE LYS A 76 4.998 -8.238 11.855 1.00 0.00 C ATOM 1147 NZ LYS A 76 5.559 -8.885 13.074 1.00 0.00 N ATOM 0 H LYS A 76 4.835 -3.795 9.085 1.00 0.00 H new ATOM 0 HA LYS A 76 6.050 -5.712 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.628 -5.925 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.983 -5.675 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.316 -7.881 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.831 -8.128 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.322 -9.261 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.874 -7.667 10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.714 -7.212 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.090 -8.759 11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.851 -8.863 13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.807 -9.872 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.411 -8.372 13.378 1.00 0.00 H new ATOM 1161 N ILE A 77 4.191 -7.160 6.514 1.00 0.00 N ATOM 1162 CA ILE A 77 3.089 -7.891 5.903 1.00 0.00 C ATOM 1163 C ILE A 77 3.123 -9.365 6.293 1.00 0.00 C ATOM 1164 O ILE A 77 4.112 -10.057 6.055 1.00 0.00 O ATOM 1165 CB ILE A 77 3.120 -7.777 4.368 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.935 -6.320 3.939 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.045 -8.657 3.749 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.201 -6.084 2.468 1.00 0.00 C ATOM 0 H ILE A 77 5.114 -7.417 6.163 1.00 0.00 H new ATOM 0 HA ILE A 77 2.168 -7.441 6.274 1.00 0.00 H new ATOM 0 HB ILE A 77 4.092 -8.120 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.916 -6.008 4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.602 -5.689 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.080 -8.565 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.218 -9.696 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.065 -8.342 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.051 -5.030 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.228 -6.364 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.516 -6.688 1.873 1.00 0.00 H new ATOM 1180 N MET A 78 2.036 -9.838 6.892 1.00 0.00 N ATOM 1181 CA MET A 78 1.940 -11.231 7.312 1.00 0.00 C ATOM 1182 C MET A 78 1.171 -12.057 6.286 1.00 0.00 C ATOM 1183 O MET A 78 0.378 -11.522 5.511 1.00 0.00 O ATOM 1184 CB MET A 78 1.258 -11.329 8.678 1.00 0.00 C ATOM 1185 CG MET A 78 1.789 -10.332 9.695 1.00 0.00 C ATOM 1186 SD MET A 78 1.520 -10.865 11.396 1.00 0.00 S ATOM 1187 CE MET A 78 0.062 -9.915 11.822 1.00 0.00 C ATOM 0 H MET A 78 1.209 -9.277 7.098 1.00 0.00 H new ATOM 0 HA MET A 78 2.951 -11.631 7.390 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.187 -11.172 8.552 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.388 -12.338 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.856 -10.183 9.529 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.305 -9.368 9.540 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.229 -10.136 12.849 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.281 -8.851 11.728 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.754 -10.179 11.149 1.00 0.00 H new ATOM 1197 N THR A 79 1.409 -13.365 6.287 1.00 0.00 N ATOM 1198 CA THR A 79 0.740 -14.265 5.356 1.00 0.00 C ATOM 1199 C THR A 79 0.135 -15.460 6.084 1.00 0.00 C ATOM 1200 O THR A 79 0.727 -15.991 7.023 1.00 0.00 O ATOM 1201 CB THR A 79 1.709 -14.775 4.273 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.006 -14.994 4.839 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.812 -13.780 3.127 1.00 0.00 C ATOM 0 H THR A 79 2.061 -13.825 6.923 1.00 0.00 H new ATOM 0 HA THR A 79 -0.056 -13.692 4.880 1.00 0.00 H new ATOM 0 HB THR A 79 1.320 -15.716 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.615 -15.320 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.502 -14.162 2.374 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.829 -13.638 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.179 -12.826 3.505 1.00 0.00 H new ATOM 1211 N ALA A 80 -1.048 -15.878 5.645 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.732 -17.012 6.253 1.00 0.00 C ATOM 1213 C ALA A 80 -2.770 -17.601 5.304 1.00 0.00 C ATOM 1214 O ALA A 80 -3.633 -16.887 4.794 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.387 -16.593 7.561 1.00 0.00 C ATOM 0 H ALA A 80 -1.552 -15.448 4.870 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.990 -17.783 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.894 -17.450 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.625 -16.227 8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.112 -15.802 7.368 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.678 -18.907 5.071 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.610 -19.590 4.182 1.00 0.00 C ATOM 1223 C GLU A 81 -3.473 -19.076 2.751 1.00 0.00 C ATOM 1224 O GLU A 81 -4.411 -19.153 1.960 1.00 0.00 O ATOM 1225 CB GLU A 81 -5.048 -19.399 4.668 1.00 0.00 C ATOM 1226 CG GLU A 81 -5.193 -19.462 6.179 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.950 -20.853 6.732 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -5.546 -21.814 6.201 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -4.165 -20.980 7.694 1.00 0.00 O ATOM 0 H GLU A 81 -1.969 -19.512 5.485 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.369 -20.653 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.417 -18.436 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.679 -20.165 4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.491 -18.765 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.194 -19.134 6.458 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.295 -18.551 2.428 1.00 0.00 N ATOM 1237 CA GLY A 82 -2.055 -18.031 1.094 1.00 0.00 C ATOM 1238 C GLY A 82 -2.569 -16.615 0.923 1.00 0.00 C ATOM 1239 O GLY A 82 -2.813 -16.166 -0.198 1.00 0.00 O ATOM 0 H GLY A 82 -1.503 -18.476 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.985 -18.054 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.536 -18.680 0.362 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.736 -15.909 2.036 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.227 -14.536 2.005 1.00 0.00 C ATOM 1245 C LEU A 83 -2.141 -13.560 2.445 1.00 0.00 C ATOM 1246 O LEU A 83 -1.095 -13.966 2.952 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.454 -14.391 2.906 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.552 -15.438 2.718 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.288 -15.681 4.026 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.523 -15.003 1.630 1.00 0.00 C ATOM 0 H LEU A 83 -2.539 -16.265 2.971 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.508 -14.300 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.123 -14.423 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.888 -13.405 2.740 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.086 -16.373 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.066 -16.429 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.585 -16.038 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.742 -14.750 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.298 -15.760 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.982 -14.055 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.985 -14.882 0.690 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.396 -12.271 2.250 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.440 -11.236 2.627 1.00 0.00 C ATOM 1264 C TYR A 84 -2.127 -10.116 3.401 1.00 0.00 C ATOM 1265 O TYR A 84 -3.074 -9.498 2.912 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.757 -10.667 1.383 1.00 0.00 C ATOM 1267 CG TYR A 84 0.044 -11.691 0.610 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.588 -12.638 -0.187 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.431 -11.712 0.677 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.139 -13.575 -0.895 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.167 -12.645 -0.028 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.516 -13.575 -0.813 1.00 0.00 C ATOM 1273 OH TYR A 84 2.245 -14.506 -1.515 1.00 0.00 O ATOM 0 H TYR A 84 -3.257 -11.918 1.833 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.687 -11.689 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.515 -10.240 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.097 -9.852 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.666 -12.641 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.943 -10.986 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.368 -14.304 -1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.245 -12.647 0.035 1.00 0.00 H new ATOM 0 HH TYR A 84 3.201 -14.367 -1.348 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.643 -9.859 4.612 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.210 -8.813 5.455 1.00 0.00 C ATOM 1285 C ARG A 85 -1.230 -8.410 6.553 1.00 0.00 C ATOM 1286 O ARG A 85 -0.655 -9.263 7.229 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.524 -9.287 6.078 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.453 -10.692 6.655 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.696 -11.025 7.465 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.800 -12.454 7.745 1.00 0.00 N ATOM 1291 CZ ARG A 85 -5.846 -13.012 8.344 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -6.872 -12.264 8.725 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -5.867 -14.320 8.564 1.00 0.00 N ATOM 0 H ARG A 85 -0.860 -10.361 5.031 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.406 -7.942 4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.813 -8.593 6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.308 -9.253 5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.341 -11.414 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.570 -10.782 7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.676 -10.472 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.582 -10.697 6.921 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.027 -13.057 7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.859 -11.258 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.674 -12.695 9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.079 -14.899 8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.671 -14.747 9.024 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.045 -7.105 6.724 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.136 -6.590 7.740 1.00 0.00 C ATOM 1309 C ILE A 86 -0.707 -6.787 9.140 1.00 0.00 C ATOM 1310 O ILE A 86 0.025 -6.769 10.130 1.00 0.00 O ATOM 1311 CB ILE A 86 0.160 -5.094 7.524 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.126 -4.274 7.647 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.807 -4.873 6.165 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -0.937 -2.804 7.348 1.00 0.00 C ATOM 0 H ILE A 86 -1.512 -6.386 6.172 1.00 0.00 H new ATOM 0 HA ILE A 86 0.793 -7.153 7.647 1.00 0.00 H new ATOM 0 HB ILE A 86 0.856 -4.762 8.295 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.873 -4.682 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.521 -4.383 8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.010 -3.811 6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.742 -5.431 6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.133 -5.218 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.890 -2.286 7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.214 -2.381 8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.571 -2.684 6.328 1.00 0.00 H new ATOM 1326 N THR A 87 -2.021 -6.976 9.216 1.00 0.00 N ATOM 1327 CA THR A 87 -2.691 -7.177 10.494 1.00 0.00 C ATOM 1328 C THR A 87 -3.704 -8.314 10.411 1.00 0.00 C ATOM 1329 O THR A 87 -4.300 -8.550 9.361 1.00 0.00 O ATOM 1330 CB THR A 87 -3.411 -5.897 10.959 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.131 -6.152 12.170 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.369 -5.396 9.889 1.00 0.00 C ATOM 0 H THR A 87 -2.642 -6.994 8.407 1.00 0.00 H new ATOM 0 HA THR A 87 -1.918 -7.434 11.218 1.00 0.00 H new ATOM 0 HB THR A 87 -2.659 -5.129 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.584 -5.333 12.460 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.866 -4.491 10.240 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.813 -5.175 8.978 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.116 -6.163 9.681 1.00 0.00 H new ATOM 1340 N GLU A 88 -3.893 -9.014 11.525 1.00 0.00 N ATOM 1341 CA GLU A 88 -4.835 -10.127 11.576 1.00 0.00 C ATOM 1342 C GLU A 88 -6.270 -9.620 11.689 1.00 0.00 C ATOM 1343 O GLU A 88 -7.050 -10.108 12.507 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.511 -11.044 12.758 1.00 0.00 C ATOM 1345 CG GLU A 88 -4.671 -10.372 14.111 1.00 0.00 C ATOM 1346 CD GLU A 88 -3.488 -9.495 14.471 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -2.339 -9.968 14.348 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -3.711 -8.334 14.875 1.00 0.00 O ATOM 0 H GLU A 88 -3.407 -8.831 12.403 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.740 -10.693 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.160 -11.919 12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.486 -11.403 12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.578 -9.768 14.107 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.799 -11.135 14.879 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.611 -8.637 10.863 1.00 0.00 N ATOM 1356 CA LYS A 89 -7.951 -8.063 10.868 1.00 0.00 C ATOM 1357 C LYS A 89 -8.689 -8.393 9.574 1.00 0.00 C ATOM 1358 O LYS A 89 -9.878 -8.711 9.589 1.00 0.00 O ATOM 1359 CB LYS A 89 -7.878 -6.546 11.053 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.678 -6.119 12.497 1.00 0.00 C ATOM 1361 CD LYS A 89 -8.280 -4.749 12.762 1.00 0.00 C ATOM 1362 CE LYS A 89 -8.373 -4.460 14.253 1.00 0.00 C ATOM 1363 NZ LYS A 89 -9.606 -5.041 14.854 1.00 0.00 N ATOM 0 H LYS A 89 -5.977 -8.221 10.181 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.502 -8.498 11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.059 -6.154 10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.796 -6.097 10.674 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.135 -6.853 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.613 -6.100 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.672 -3.984 12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.274 -4.695 12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.497 -4.867 14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.363 -3.382 14.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.633 -4.823 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.443 -4.634 14.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.604 -6.073 14.721 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.976 -8.316 8.456 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.561 -8.609 7.153 1.00 0.00 C ATOM 1379 C LYS A 90 -7.501 -9.117 6.182 1.00 0.00 C ATOM 1380 O LYS A 90 -6.523 -8.426 5.898 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.234 -7.359 6.581 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.669 -7.511 5.133 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.008 -8.220 5.024 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.702 -7.901 3.709 1.00 0.00 C ATOM 1385 NZ LYS A 90 -13.148 -8.258 3.744 1.00 0.00 N ATOM 0 H LYS A 90 -6.991 -8.053 8.426 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.310 -9.390 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.105 -7.115 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.545 -6.518 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.738 -6.528 4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.914 -8.072 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.859 -9.297 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.647 -7.923 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.595 -6.838 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.213 -8.443 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.585 -8.025 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.250 -9.277 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.620 -7.722 4.500 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.702 -10.329 5.674 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.765 -10.928 4.732 1.00 0.00 C ATOM 1401 C ALA A 91 -7.322 -10.904 3.313 1.00 0.00 C ATOM 1402 O ALA A 91 -8.536 -10.948 3.111 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.437 -12.354 5.148 1.00 0.00 C ATOM 0 H ALA A 91 -8.506 -10.915 5.899 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.849 -10.338 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.736 -12.789 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.988 -12.349 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.351 -12.947 5.166 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.428 -10.833 2.332 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.831 -10.801 0.931 1.00 0.00 C ATOM 1411 C PHE A 92 -6.096 -11.871 0.129 1.00 0.00 C ATOM 1412 O PHE A 92 -5.032 -12.342 0.532 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.559 -9.420 0.331 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.105 -8.290 1.155 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.549 -7.983 2.387 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.172 -7.534 0.699 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.050 -6.943 3.148 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.677 -6.493 1.455 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.115 -6.197 2.681 1.00 0.00 C ATOM 0 H PHE A 92 -5.420 -10.797 2.482 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.900 -11.006 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.483 -9.288 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.994 -9.374 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.716 -8.562 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.615 -7.761 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.609 -6.714 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.510 -5.912 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.507 -5.384 3.274 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.671 -12.250 -1.008 1.00 0.00 N ATOM 1430 CA ARG A 93 -6.072 -13.265 -1.866 1.00 0.00 C ATOM 1431 C ARG A 93 -4.597 -12.964 -2.116 1.00 0.00 C ATOM 1432 O ARG A 93 -3.754 -13.858 -2.071 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.821 -13.344 -3.198 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.300 -13.658 -3.047 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.558 -15.156 -3.078 1.00 0.00 C ATOM 1436 NE ARG A 93 -9.898 -15.471 -3.566 1.00 0.00 N ATOM 1437 CZ ARG A 93 -10.195 -16.578 -4.237 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -9.251 -17.472 -4.499 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -11.438 -16.794 -4.648 1.00 0.00 N ATOM 0 H ARG A 93 -7.551 -11.869 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.148 -14.226 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.711 -12.395 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.358 -14.109 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.667 -13.244 -2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.859 -13.175 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.817 -15.638 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.431 -15.566 -2.076 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.647 -14.804 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.294 -17.310 -4.185 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.482 -18.321 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.167 -16.109 -4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.664 -17.645 -5.163 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.294 -11.696 -2.382 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.921 -11.300 -2.636 1.00 0.00 C ATOM 1455 C GLY A 94 -2.687 -9.824 -2.381 1.00 0.00 C ATOM 1456 O GLY A 94 -3.619 -9.087 -2.056 1.00 0.00 O ATOM 0 H GLY A 94 -4.974 -10.937 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.254 -11.885 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.664 -11.532 -3.670 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.440 -9.391 -2.527 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.086 -7.992 -2.309 1.00 0.00 C ATOM 1462 C LEU A 95 -2.031 -7.066 -3.068 1.00 0.00 C ATOM 1463 O LEU A 95 -2.684 -6.207 -2.476 1.00 0.00 O ATOM 1464 CB LEU A 95 0.358 -7.738 -2.747 1.00 0.00 C ATOM 1465 CG LEU A 95 1.432 -7.965 -1.684 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.526 -6.765 -0.754 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.140 -9.232 -0.893 1.00 0.00 C ATOM 0 H LEU A 95 -0.657 -9.987 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.179 -7.780 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.577 -8.382 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.434 -6.709 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 95 2.392 -8.086 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.296 -6.945 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.783 -5.877 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.567 -6.612 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.915 -9.378 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.171 -9.140 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.125 -10.087 -1.569 1.00 0.00 H new ATOM 1479 N THR A 96 -2.100 -7.249 -4.384 1.00 0.00 N ATOM 1480 CA THR A 96 -2.966 -6.431 -5.224 1.00 0.00 C ATOM 1481 C THR A 96 -4.234 -6.029 -4.480 1.00 0.00 C ATOM 1482 O THR A 96 -4.655 -4.874 -4.532 1.00 0.00 O ATOM 1483 CB THR A 96 -3.356 -7.171 -6.517 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.209 -7.825 -7.072 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.939 -6.206 -7.538 1.00 0.00 C ATOM 0 H THR A 96 -1.567 -7.956 -4.890 1.00 0.00 H new ATOM 0 HA THR A 96 -2.401 -5.536 -5.483 1.00 0.00 H new ATOM 0 HB THR A 96 -4.114 -7.915 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.558 -7.153 -7.362 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.207 -6.752 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.828 -5.731 -7.124 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.200 -5.442 -7.780 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.838 -6.989 -3.787 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.059 -6.734 -3.032 1.00 0.00 C ATOM 1495 C GLU A 97 -5.754 -5.972 -1.745 1.00 0.00 C ATOM 1496 O GLU A 97 -6.270 -4.877 -1.521 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.767 -8.050 -2.703 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.415 -8.710 -3.909 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.679 -8.000 -4.354 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -8.653 -6.756 -4.467 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -9.694 -8.688 -4.589 1.00 0.00 O ATOM 0 H GLU A 97 -4.502 -7.950 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.716 -6.122 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.047 -8.741 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.530 -7.863 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.703 -8.728 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.651 -9.747 -3.668 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.911 -6.560 -0.903 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.537 -5.939 0.363 1.00 0.00 C ATOM 1510 C LEU A 98 -4.243 -4.454 0.174 1.00 0.00 C ATOM 1511 O LEU A 98 -4.768 -3.610 0.900 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.314 -6.641 0.956 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.885 -6.180 2.349 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -1.863 -5.058 2.248 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.094 -5.731 3.158 1.00 0.00 C ATOM 0 H LEU A 98 -4.474 -7.466 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.376 -6.040 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.518 -7.711 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.475 -6.502 0.275 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.421 -7.022 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.569 -4.742 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.986 -5.413 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.301 -4.214 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.770 -5.406 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.586 -4.903 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.793 -6.562 3.260 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.402 -4.142 -0.806 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.041 -2.759 -1.093 1.00 0.00 C ATOM 1529 C VAL A 99 -4.246 -1.968 -1.589 1.00 0.00 C ATOM 1530 O VAL A 99 -4.502 -0.856 -1.129 1.00 0.00 O ATOM 1531 CB VAL A 99 -1.919 -2.678 -2.145 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.523 -1.231 -2.394 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.717 -3.500 -1.706 1.00 0.00 C ATOM 0 H VAL A 99 -2.957 -4.829 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.685 -2.325 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.292 -3.093 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.729 -1.194 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.387 -0.674 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.168 -0.786 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.066 -3.431 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.341 -3.117 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.013 -4.542 -1.584 1.00 0.00 H new ATOM 1543 N GLU A 100 -4.983 -2.550 -2.530 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.161 -1.898 -3.089 1.00 0.00 C ATOM 1545 C GLU A 100 -7.146 -1.517 -1.987 1.00 0.00 C ATOM 1546 O GLU A 100 -7.829 -0.497 -2.076 1.00 0.00 O ATOM 1547 CB GLU A 100 -6.846 -2.816 -4.104 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.367 -2.609 -5.531 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.448 -2.890 -6.556 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -7.732 -4.080 -6.807 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.011 -1.921 -7.107 1.00 0.00 O ATOM 0 H GLU A 100 -4.785 -3.471 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.836 -0.988 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.672 -3.853 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.922 -2.650 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.019 -1.583 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.513 -3.259 -5.722 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.212 -2.344 -0.949 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.114 -2.095 0.170 1.00 0.00 C ATOM 1560 C PHE A 101 -7.658 -0.883 0.977 1.00 0.00 C ATOM 1561 O PHE A 101 -8.446 0.020 1.260 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.188 -3.326 1.076 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.145 -3.170 2.223 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -8.737 -2.581 3.409 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -10.454 -3.611 2.114 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -9.616 -2.437 4.465 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -11.338 -3.469 3.167 1.00 0.00 C ATOM 1568 CZ PHE A 101 -10.918 -2.880 4.344 1.00 0.00 C ATOM 0 H PHE A 101 -6.652 -3.192 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.105 -1.889 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.486 -4.189 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.194 -3.538 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.720 -2.231 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -10.787 -4.071 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.285 -1.978 5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.355 -3.818 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 101 -11.607 -2.766 5.168 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.381 -0.870 1.343 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.820 0.229 2.120 1.00 0.00 C ATOM 1580 C TYR A 102 -5.898 1.540 1.343 1.00 0.00 C ATOM 1581 O TYR A 102 -5.938 2.621 1.931 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.367 -0.071 2.491 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.224 -1.021 3.658 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.001 -0.872 4.800 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.313 -2.069 3.618 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -4.874 -1.738 5.869 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.180 -2.941 4.682 1.00 0.00 C ATOM 1588 CZ TYR A 102 -3.962 -2.771 5.805 1.00 0.00 C ATOM 1589 OH TYR A 102 -3.833 -3.636 6.867 1.00 0.00 O ATOM 0 H TYR A 102 -5.715 -1.608 1.114 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.407 0.333 3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.860 -0.495 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.861 0.864 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.717 -0.065 4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.698 -2.205 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.485 -1.607 6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.467 -3.751 4.634 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.920 -3.138 7.707 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.919 1.435 0.018 1.00 0.00 N ATOM 1600 CA GLN A 103 -5.992 2.612 -0.840 1.00 0.00 C ATOM 1601 C GLN A 103 -7.220 3.454 -0.506 1.00 0.00 C ATOM 1602 O GLN A 103 -7.328 4.604 -0.929 1.00 0.00 O ATOM 1603 CB GLN A 103 -6.030 2.195 -2.311 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.673 1.792 -2.864 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.768 1.151 -4.235 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.823 1.168 -4.869 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.663 0.579 -4.699 1.00 0.00 N ATOM 0 H GLN A 103 -5.887 0.548 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.101 3.215 -0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.722 1.361 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.424 3.020 -2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.033 2.672 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.196 1.096 -2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.810 0.588 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.667 0.130 -5.615 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.141 2.872 0.255 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.361 3.569 0.644 1.00 0.00 C ATOM 1618 C GLN A 104 -9.408 3.784 2.153 1.00 0.00 C ATOM 1619 O GLN A 104 -10.060 4.707 2.638 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.591 2.780 0.191 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.388 2.036 -1.119 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.667 1.911 -1.923 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.008 2.794 -2.710 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -12.384 0.810 -1.729 1.00 0.00 N ATOM 0 H GLN A 104 -8.066 1.920 0.614 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.363 4.544 0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -10.860 2.064 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -11.432 3.465 0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.638 2.556 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -9.996 1.041 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.064 0.103 -1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.254 0.671 -2.242 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.711 2.925 2.890 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.673 3.021 4.345 1.00 0.00 C ATOM 1635 C ASN A 105 -7.256 3.303 4.835 1.00 0.00 C ATOM 1636 O ASN A 105 -6.287 2.752 4.314 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.195 1.728 4.975 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.441 1.210 4.284 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.535 1.238 4.849 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.281 0.733 3.055 1.00 0.00 N ATOM 0 H ASN A 105 -8.165 2.155 2.504 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.314 3.849 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.416 0.966 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.413 1.903 6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.083 0.370 2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.356 0.729 2.626 1.00 0.00 H new ATOM 1647 N SER A 106 -7.145 4.165 5.841 1.00 0.00 N ATOM 1648 CA SER A 106 -5.847 4.524 6.400 1.00 0.00 C ATOM 1649 C SER A 106 -5.251 3.357 7.182 1.00 0.00 C ATOM 1650 O SER A 106 -5.966 2.626 7.869 1.00 0.00 O ATOM 1651 CB SER A 106 -5.979 5.747 7.309 1.00 0.00 C ATOM 1652 OG SER A 106 -4.709 6.291 7.620 1.00 0.00 O ATOM 0 H SER A 106 -7.938 4.627 6.285 1.00 0.00 H new ATOM 0 HA SER A 106 -5.178 4.765 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.592 6.504 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.493 5.467 8.228 1.00 0.00 H new ATOM 0 HG SER A 106 -4.746 6.726 8.497 1.00 0.00 H new ATOM 1658 N LEU A 107 -3.938 3.188 7.073 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.244 2.111 7.769 1.00 0.00 C ATOM 1660 C LEU A 107 -3.313 2.306 9.280 1.00 0.00 C ATOM 1661 O LEU A 107 -2.901 1.438 10.049 1.00 0.00 O ATOM 1662 CB LEU A 107 -1.784 2.042 7.318 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.538 1.451 5.930 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.613 -0.067 5.975 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -2.540 2.007 4.928 1.00 0.00 C ATOM 0 H LEU A 107 -3.332 3.784 6.509 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.739 1.173 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.370 3.050 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.227 1.452 8.046 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.536 1.735 5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.435 -0.470 4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.856 -0.449 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.601 -0.372 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.350 1.575 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.551 1.754 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.437 3.091 4.874 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.838 3.452 9.700 1.00 0.00 N ATOM 1678 CA LYS A 108 -3.965 3.762 11.119 1.00 0.00 C ATOM 1679 C LYS A 108 -4.456 2.547 11.900 1.00 0.00 C ATOM 1680 O LYS A 108 -3.959 2.255 12.988 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.927 4.935 11.322 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.375 4.593 11.019 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.274 5.812 11.140 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.579 5.620 10.383 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.359 6.886 10.292 1.00 0.00 N ATOM 0 H LYS A 108 -4.183 4.182 9.077 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.980 4.039 11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.852 5.281 12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.617 5.763 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.450 4.183 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.718 3.818 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.487 6.005 12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.754 6.689 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.366 5.252 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.179 4.859 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.241 6.713 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.584 7.224 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.797 7.605 9.794 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.431 1.843 11.337 1.00 0.00 N ATOM 1700 CA ASP A 109 -5.987 0.657 11.979 1.00 0.00 C ATOM 1701 C ASP A 109 -4.879 -0.218 12.556 1.00 0.00 C ATOM 1702 O ASP A 109 -4.944 -0.639 13.712 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.821 -0.146 10.980 1.00 0.00 C ATOM 1704 CG ASP A 109 -8.255 0.340 10.901 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.870 0.552 11.967 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -8.763 0.508 9.772 1.00 0.00 O ATOM 0 H ASP A 109 -5.853 2.073 10.437 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.630 0.984 12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.363 -0.080 9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.812 -1.198 11.266 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.864 -0.490 11.743 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.742 -1.318 12.172 1.00 0.00 C ATOM 1713 C CYS A 110 -1.754 -0.506 13.004 1.00 0.00 C ATOM 1714 O CYS A 110 -1.193 -1.003 13.981 1.00 0.00 O ATOM 1715 CB CYS A 110 -2.032 -1.920 10.958 1.00 0.00 C ATOM 1716 SG CYS A 110 -3.149 -2.463 9.644 1.00 0.00 S ATOM 0 H CYS A 110 -3.795 -0.150 10.784 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.133 -2.125 12.792 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -1.342 -1.181 10.551 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.433 -2.770 11.285 1.00 0.00 H new ATOM 0 HG CYS A 110 -3.355 -1.482 8.816 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.544 0.745 12.608 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.621 1.625 13.315 1.00 0.00 C ATOM 1724 C PHE A 111 -1.242 3.003 13.532 1.00 0.00 C ATOM 1725 O PHE A 111 -1.063 3.912 12.721 1.00 0.00 O ATOM 1726 CB PHE A 111 0.688 1.761 12.535 1.00 0.00 C ATOM 1727 CG PHE A 111 1.516 0.507 12.531 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.317 0.187 13.615 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.492 -0.351 11.443 1.00 0.00 C ATOM 1730 CE1 PHE A 111 3.080 -0.965 13.614 1.00 0.00 C ATOM 1731 CE2 PHE A 111 2.253 -1.505 11.436 1.00 0.00 C ATOM 1732 CZ PHE A 111 3.047 -1.813 12.524 1.00 0.00 C ATOM 0 H PHE A 111 -2.000 1.172 11.802 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.411 1.182 14.289 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.461 2.041 11.506 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.275 2.573 12.964 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.345 0.845 14.471 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.872 -0.115 10.591 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.702 -1.202 14.465 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.227 -2.165 10.581 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.641 -2.715 12.522 1.00 0.00 H new ATOM 1742 N LYS A 112 -1.972 3.149 14.632 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.620 4.414 14.958 1.00 0.00 C ATOM 1744 C LYS A 112 -1.684 5.589 14.693 1.00 0.00 C ATOM 1745 O LYS A 112 -2.129 6.685 14.352 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.062 4.421 16.423 1.00 0.00 C ATOM 1747 CG LYS A 112 -1.918 4.617 17.403 1.00 0.00 C ATOM 1748 CD LYS A 112 -1.231 3.301 17.727 1.00 0.00 C ATOM 1749 CE LYS A 112 -2.076 2.445 18.659 1.00 0.00 C ATOM 1750 NZ LYS A 112 -1.667 1.014 18.622 1.00 0.00 N ATOM 0 H LYS A 112 -2.130 2.407 15.313 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.497 4.520 14.319 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.794 5.215 16.569 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.564 3.480 16.647 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.193 5.314 16.983 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.297 5.067 18.321 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.037 2.754 16.804 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.264 3.498 18.190 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.987 2.822 19.678 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.126 2.530 18.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.267 0.465 19.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.776 0.647 17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.673 0.929 18.915 1.00 0.00 H new ATOM 1764 N SER A 113 -0.385 5.352 14.849 1.00 0.00 N ATOM 1765 CA SER A 113 0.613 6.391 14.628 1.00 0.00 C ATOM 1766 C SER A 113 0.771 6.685 13.140 1.00 0.00 C ATOM 1767 O SER A 113 0.972 7.833 12.739 1.00 0.00 O ATOM 1768 CB SER A 113 1.959 5.970 15.223 1.00 0.00 C ATOM 1769 OG SER A 113 2.943 6.969 15.015 1.00 0.00 O ATOM 0 H SER A 113 0.000 4.450 15.128 1.00 0.00 H new ATOM 0 HA SER A 113 0.272 7.299 15.125 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.846 5.783 16.291 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.284 5.034 14.769 1.00 0.00 H new ATOM 0 HG SER A 113 3.793 6.677 15.405 1.00 0.00 H new ATOM 1775 N LEU A 114 0.680 5.641 12.324 1.00 0.00 N ATOM 1776 CA LEU A 114 0.813 5.785 10.879 1.00 0.00 C ATOM 1777 C LEU A 114 -0.556 5.904 10.215 1.00 0.00 C ATOM 1778 O LEU A 114 -1.156 4.904 9.823 1.00 0.00 O ATOM 1779 CB LEU A 114 1.573 4.592 10.295 1.00 0.00 C ATOM 1780 CG LEU A 114 2.003 4.721 8.834 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.474 6.137 8.538 1.00 0.00 C ATOM 1782 CD2 LEU A 114 3.098 3.715 8.510 1.00 0.00 C ATOM 0 H LEU A 114 0.515 4.685 12.639 1.00 0.00 H new ATOM 0 HA LEU A 114 1.374 6.698 10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.463 4.422 10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.947 3.705 10.392 1.00 0.00 H new ATOM 0 HG LEU A 114 1.141 4.507 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.776 6.209 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.662 6.838 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.322 6.380 9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.392 3.821 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.961 3.898 9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.726 2.705 8.682 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.042 7.134 10.091 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.338 7.386 9.472 1.00 0.00 C ATOM 1796 C ASP A 115 -2.171 7.823 8.020 1.00 0.00 C ATOM 1797 O ASP A 115 -2.332 8.999 7.692 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.103 8.454 10.255 1.00 0.00 C ATOM 1799 CG ASP A 115 -4.360 8.906 9.540 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.262 8.066 9.335 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -4.444 10.101 9.186 1.00 0.00 O ATOM 0 H ASP A 115 -0.558 7.973 10.411 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.908 6.457 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.368 8.061 11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -2.454 9.314 10.421 1.00 0.00 H new ATOM 1806 N THR A 116 -1.846 6.869 7.153 1.00 0.00 N ATOM 1807 CA THR A 116 -1.654 7.156 5.737 1.00 0.00 C ATOM 1808 C THR A 116 -2.383 6.139 4.866 1.00 0.00 C ATOM 1809 O THR A 116 -3.060 5.244 5.373 1.00 0.00 O ATOM 1810 CB THR A 116 -0.161 7.161 5.361 1.00 0.00 C ATOM 1811 OG1 THR A 116 0.023 7.792 4.089 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.390 5.743 5.314 1.00 0.00 C ATOM 0 H THR A 116 -1.710 5.891 7.407 1.00 0.00 H new ATOM 0 HA THR A 116 -2.069 8.148 5.557 1.00 0.00 H new ATOM 0 HB THR A 116 0.381 7.720 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.057 8.764 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.446 5.772 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.276 5.276 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.157 5.164 4.570 1.00 0.00 H new ATOM 1820 N THR A 117 -2.239 6.280 3.552 1.00 0.00 N ATOM 1821 CA THR A 117 -2.883 5.373 2.611 1.00 0.00 C ATOM 1822 C THR A 117 -2.063 5.233 1.334 1.00 0.00 C ATOM 1823 O THR A 117 -1.246 6.095 1.011 1.00 0.00 O ATOM 1824 CB THR A 117 -4.301 5.855 2.248 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.341 7.286 2.228 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.323 5.327 3.242 1.00 0.00 C ATOM 0 H THR A 117 -1.682 7.014 3.116 1.00 0.00 H new ATOM 0 HA THR A 117 -2.952 4.403 3.103 1.00 0.00 H new ATOM 0 HB THR A 117 -4.550 5.471 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.245 7.585 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.316 5.680 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.310 4.237 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.076 5.684 4.242 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.287 4.142 0.610 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.569 3.889 -0.635 1.00 0.00 C ATOM 1836 C LEU A 118 -2.014 4.856 -1.727 1.00 0.00 C ATOM 1837 O LEU A 118 -2.993 4.606 -2.429 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.795 2.447 -1.093 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.336 1.356 -0.125 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.134 1.534 0.223 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.189 1.367 1.136 1.00 0.00 C ATOM 0 H LEU A 118 -2.960 3.418 0.863 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.506 4.043 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.859 2.310 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.279 2.303 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.458 0.390 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.442 0.748 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.733 1.475 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.282 2.507 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.848 0.584 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.100 2.336 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.231 1.189 0.872 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.286 5.960 -1.864 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.605 6.964 -2.872 1.00 0.00 C ATOM 1855 C GLN A 119 -1.188 6.493 -4.261 1.00 0.00 C ATOM 1856 O GLN A 119 -2.031 6.159 -5.094 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.914 8.288 -2.541 1.00 0.00 C ATOM 1858 CG GLN A 119 -1.020 8.679 -1.076 1.00 0.00 C ATOM 1859 CD GLN A 119 -1.039 10.182 -0.873 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.686 10.946 -1.772 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.454 10.614 0.312 1.00 0.00 N ATOM 0 H GLN A 119 -0.472 6.181 -1.290 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.684 7.115 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.139 8.217 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.350 9.079 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.927 8.248 -0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.179 8.253 -0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.737 9.945 1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.490 11.615 0.506 1.00 0.00 H new ATOM 1870 N PHE A 120 0.118 6.469 -4.505 1.00 0.00 N ATOM 1871 CA PHE A 120 0.647 6.040 -5.795 1.00 0.00 C ATOM 1872 C PHE A 120 1.923 5.223 -5.614 1.00 0.00 C ATOM 1873 O PHE A 120 2.688 5.420 -4.670 1.00 0.00 O ATOM 1874 CB PHE A 120 0.927 7.253 -6.684 1.00 0.00 C ATOM 1875 CG PHE A 120 0.036 8.427 -6.395 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.301 8.405 -6.756 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.536 9.554 -5.762 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.124 9.483 -6.490 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.282 10.635 -5.493 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.613 10.600 -5.859 1.00 0.00 C ATOM 0 H PHE A 120 0.830 6.741 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.102 5.411 -6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.966 7.556 -6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.806 6.964 -7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.705 7.535 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.577 9.588 -5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.165 9.452 -6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.119 11.506 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.253 11.445 -5.652 1.00 0.00 H new ATOM 1890 N PRO A 121 2.158 4.282 -6.540 1.00 0.00 N ATOM 1891 CA PRO A 121 3.340 3.415 -6.506 1.00 0.00 C ATOM 1892 C PRO A 121 4.626 4.175 -6.811 1.00 0.00 C ATOM 1893 O PRO A 121 4.590 5.340 -7.208 1.00 0.00 O ATOM 1894 CB PRO A 121 3.055 2.384 -7.602 1.00 0.00 C ATOM 1895 CG PRO A 121 2.127 3.075 -8.540 1.00 0.00 C ATOM 1896 CD PRO A 121 1.289 3.992 -7.693 1.00 0.00 C ATOM 0 HA PRO A 121 3.496 2.978 -5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.972 2.078 -8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.602 1.483 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.680 3.636 -9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.503 2.357 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.019 4.901 -8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.358 3.515 -7.385 1.00 0.00 H new ATOM 1904 N PHE A 122 5.760 3.509 -6.623 1.00 0.00 N ATOM 1905 CA PHE A 122 7.058 4.123 -6.878 1.00 0.00 C ATOM 1906 C PHE A 122 7.472 3.935 -8.334 1.00 0.00 C ATOM 1907 O PHE A 122 7.983 4.857 -8.971 1.00 0.00 O ATOM 1908 CB PHE A 122 8.119 3.525 -5.952 1.00 0.00 C ATOM 1909 CG PHE A 122 8.615 2.179 -6.400 1.00 0.00 C ATOM 1910 CD1 PHE A 122 7.826 1.050 -6.248 1.00 0.00 C ATOM 1911 CD2 PHE A 122 9.869 2.043 -6.972 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.280 -0.189 -6.659 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.329 0.807 -7.385 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.532 -0.311 -7.228 1.00 0.00 C ATOM 0 H PHE A 122 5.807 2.544 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 122 6.972 5.191 -6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 122 8.963 4.212 -5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.705 3.435 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 122 6.846 1.139 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.495 2.914 -7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 122 7.656 -1.061 -6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.309 0.715 -7.829 1.00 0.00 H new ATOM 0 HZ PHE A 122 9.888 -1.279 -7.550 1.00 0.00 H new ATOM 1924 N LYS A 123 7.250 2.733 -8.856 1.00 0.00 N ATOM 1925 CA LYS A 123 7.598 2.422 -10.237 1.00 0.00 C ATOM 1926 C LYS A 123 6.845 3.327 -11.206 1.00 0.00 C ATOM 1927 O LYS A 123 7.293 3.559 -12.328 1.00 0.00 O ATOM 1928 CB LYS A 123 7.287 0.955 -10.544 1.00 0.00 C ATOM 1929 CG LYS A 123 8.315 -0.015 -9.989 1.00 0.00 C ATOM 1930 CD LYS A 123 8.455 -1.244 -10.870 1.00 0.00 C ATOM 1931 CE LYS A 123 8.945 -2.446 -10.077 1.00 0.00 C ATOM 1932 NZ LYS A 123 10.432 -2.530 -10.059 1.00 0.00 N ATOM 0 H LYS A 123 6.830 1.958 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 123 8.667 2.595 -10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.308 0.707 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.223 0.824 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.280 0.485 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.024 -0.318 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.493 -1.476 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.152 -1.034 -11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.572 -2.383 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.535 -3.358 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.726 -3.362 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 10.787 -2.616 -11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.823 -1.671 -9.623 1.00 0.00 H new ATOM 1946 N GLU A 124 5.699 3.836 -10.764 1.00 0.00 N ATOM 1947 CA GLU A 124 4.884 4.716 -11.593 1.00 0.00 C ATOM 1948 C GLU A 124 5.761 5.567 -12.508 1.00 0.00 C ATOM 1949 O GLU A 124 6.760 6.149 -12.086 1.00 0.00 O ATOM 1950 CB GLU A 124 4.016 5.620 -10.716 1.00 0.00 C ATOM 1951 CG GLU A 124 2.642 5.900 -11.302 1.00 0.00 C ATOM 1952 CD GLU A 124 2.626 7.128 -12.191 1.00 0.00 C ATOM 1953 OE1 GLU A 124 3.152 8.177 -11.764 1.00 0.00 O ATOM 1954 OE2 GLU A 124 2.089 7.040 -13.315 1.00 0.00 O ATOM 0 H GLU A 124 5.314 3.654 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 124 4.238 4.094 -12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.896 5.156 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.534 6.566 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.314 5.035 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.926 6.034 -10.491 1.00 0.00 H new ATOM 1961 N PRO A 125 5.379 5.641 -13.791 1.00 0.00 N ATOM 1962 CA PRO A 125 6.116 6.417 -14.793 1.00 0.00 C ATOM 1963 C PRO A 125 5.992 7.920 -14.567 1.00 0.00 C ATOM 1964 O PRO A 125 4.984 8.397 -14.046 1.00 0.00 O ATOM 1965 CB PRO A 125 5.450 6.017 -16.112 1.00 0.00 C ATOM 1966 CG PRO A 125 4.074 5.592 -15.728 1.00 0.00 C ATOM 1967 CD PRO A 125 4.198 4.972 -14.364 1.00 0.00 C ATOM 0 HA PRO A 125 7.186 6.212 -14.762 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.426 6.852 -16.812 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.993 5.207 -16.600 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.394 6.443 -15.709 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.671 4.878 -16.446 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.306 5.145 -13.761 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.337 3.893 -14.424 1.00 0.00 H new ATOM 1975 N GLU A 126 7.022 8.660 -14.964 1.00 0.00 N ATOM 1976 CA GLU A 126 7.027 10.110 -14.804 1.00 0.00 C ATOM 1977 C GLU A 126 5.635 10.688 -15.042 1.00 0.00 C ATOM 1978 O GLU A 126 4.823 10.106 -15.761 1.00 0.00 O ATOM 1979 CB GLU A 126 8.029 10.748 -15.769 1.00 0.00 C ATOM 1980 CG GLU A 126 8.629 12.045 -15.253 1.00 0.00 C ATOM 1981 CD GLU A 126 10.010 12.314 -15.819 1.00 0.00 C ATOM 1982 OE1 GLU A 126 10.900 11.456 -15.647 1.00 0.00 O ATOM 1983 OE2 GLU A 126 10.200 13.384 -16.434 1.00 0.00 O ATOM 0 H GLU A 126 7.863 8.280 -15.398 1.00 0.00 H new ATOM 0 HA GLU A 126 7.325 10.337 -13.780 1.00 0.00 H new ATOM 0 HB2 GLU A 126 8.833 10.039 -15.966 1.00 0.00 H new ATOM 0 HB3 GLU A 126 7.533 10.940 -16.720 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.968 12.873 -15.508 1.00 0.00 H new ATOM 0 HG3 GLU A 126 8.687 12.007 -14.165 1.00 0.00 H new ATOM 1990 N LYS A 127 5.367 11.838 -14.433 1.00 0.00 N ATOM 1991 CA LYS A 127 4.074 12.497 -14.577 1.00 0.00 C ATOM 1992 C LYS A 127 4.226 13.844 -15.277 1.00 0.00 C ATOM 1993 O LYS A 127 3.576 14.822 -14.908 1.00 0.00 O ATOM 1994 CB LYS A 127 3.422 12.693 -13.207 1.00 0.00 C ATOM 1995 CG LYS A 127 2.882 11.409 -12.601 1.00 0.00 C ATOM 1996 CD LYS A 127 1.859 11.693 -11.513 1.00 0.00 C ATOM 1997 CE LYS A 127 2.526 11.906 -10.163 1.00 0.00 C ATOM 1998 NZ LYS A 127 2.766 10.619 -9.454 1.00 0.00 N ATOM 0 H LYS A 127 6.028 12.333 -13.835 1.00 0.00 H new ATOM 0 HA LYS A 127 3.435 11.859 -15.188 1.00 0.00 H new ATOM 0 HB2 LYS A 127 4.153 13.127 -12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 127 2.607 13.411 -13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.425 10.801 -13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.705 10.828 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.281 12.578 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 127 1.157 10.862 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 127 3.474 12.425 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.899 12.549 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 3.637 10.690 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.963 10.414 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 2.866 9.853 -10.150 1.00 0.00 H new ATOM 2012 N ARG A 128 5.087 13.887 -16.289 1.00 0.00 N ATOM 2013 CA ARG A 128 5.323 15.114 -17.040 1.00 0.00 C ATOM 2014 C ARG A 128 4.011 15.695 -17.558 1.00 0.00 C ATOM 2015 O ARG A 128 3.061 14.962 -17.839 1.00 0.00 O ATOM 2016 CB ARG A 128 6.271 14.846 -18.210 1.00 0.00 C ATOM 2017 CG ARG A 128 7.739 14.830 -17.813 1.00 0.00 C ATOM 2018 CD ARG A 128 8.645 14.774 -19.033 1.00 0.00 C ATOM 2019 NE ARG A 128 8.455 13.545 -19.799 1.00 0.00 N ATOM 2020 CZ ARG A 128 8.992 13.335 -20.996 1.00 0.00 C ATOM 2021 NH1 ARG A 128 9.747 14.267 -21.560 1.00 0.00 N ATOM 2022 NH2 ARG A 128 8.773 12.190 -21.631 1.00 0.00 N ATOM 0 H ARG A 128 5.633 13.086 -16.607 1.00 0.00 H new ATOM 0 HA ARG A 128 5.782 15.839 -16.368 1.00 0.00 H new ATOM 0 HB2 ARG A 128 6.015 13.888 -18.662 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.118 15.609 -18.973 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.969 15.721 -17.228 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.935 13.970 -17.173 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.446 15.634 -19.672 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.685 14.846 -18.716 1.00 0.00 H new ATOM 0 HE ARG A 128 7.879 12.808 -19.393 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.917 15.148 -21.075 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.158 14.103 -22.479 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.192 11.471 -21.200 1.00 0.00 H new ATOM 0 HH22 ARG A 128 9.186 12.029 -22.550 1.00 0.00 H new ATOM 2036 N THR A 129 3.963 17.018 -17.682 1.00 0.00 N ATOM 2037 CA THR A 129 2.768 17.698 -18.163 1.00 0.00 C ATOM 2038 C THR A 129 2.684 17.650 -19.685 1.00 0.00 C ATOM 2039 O THR A 129 2.355 18.646 -20.329 1.00 0.00 O ATOM 2040 CB THR A 129 2.735 19.168 -17.705 1.00 0.00 C ATOM 2041 OG1 THR A 129 1.499 19.776 -18.097 1.00 0.00 O ATOM 2042 CG2 THR A 129 3.899 19.947 -18.300 1.00 0.00 C ATOM 0 H THR A 129 4.739 17.640 -17.455 1.00 0.00 H new ATOM 0 HA THR A 129 1.913 17.173 -17.737 1.00 0.00 H new ATOM 0 HB THR A 129 2.822 19.188 -16.619 1.00 0.00 H new ATOM 0 HG1 THR A 129 1.375 19.672 -19.064 1.00 0.00 H new ATOM 0 HG21 THR A 129 3.854 20.982 -17.962 1.00 0.00 H new ATOM 0 HG22 THR A 129 4.839 19.500 -17.977 1.00 0.00 H new ATOM 0 HG23 THR A 129 3.838 19.917 -19.388 1.00 0.00 H new ATOM 2050 N ILE A 130 2.982 16.486 -20.253 1.00 0.00 N ATOM 2051 CA ILE A 130 2.937 16.309 -21.699 1.00 0.00 C ATOM 2052 C ILE A 130 1.637 15.640 -22.131 1.00 0.00 C ATOM 2053 O ILE A 130 0.889 16.181 -22.946 1.00 0.00 O ATOM 2054 CB ILE A 130 4.125 15.466 -22.199 1.00 0.00 C ATOM 2055 CG1 ILE A 130 5.448 16.130 -21.811 1.00 0.00 C ATOM 2056 CG2 ILE A 130 4.043 15.278 -23.707 1.00 0.00 C ATOM 2057 CD1 ILE A 130 6.626 15.181 -21.821 1.00 0.00 C ATOM 0 H ILE A 130 3.257 15.652 -19.734 1.00 0.00 H new ATOM 0 HA ILE A 130 2.995 17.304 -22.141 1.00 0.00 H new ATOM 0 HB ILE A 130 4.080 14.485 -21.727 1.00 0.00 H new ATOM 0 HG12 ILE A 130 5.648 16.952 -22.498 1.00 0.00 H new ATOM 0 HG13 ILE A 130 5.349 16.564 -20.816 1.00 0.00 H new ATOM 0 HG21 ILE A 130 4.889 14.680 -24.046 1.00 0.00 H new ATOM 0 HG22 ILE A 130 3.114 14.767 -23.960 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.067 16.251 -24.197 1.00 0.00 H new ATOM 0 HD11 ILE A 130 7.530 15.720 -21.536 1.00 0.00 H new ATOM 0 HD12 ILE A 130 6.448 14.372 -21.113 1.00 0.00 H new ATOM 0 HD13 ILE A 130 6.751 14.766 -22.821 1.00 0.00 H new ATOM 2069 N SER A 131 1.372 14.460 -21.578 1.00 0.00 N ATOM 2070 CA SER A 131 0.162 13.716 -21.907 1.00 0.00 C ATOM 2071 C SER A 131 -0.084 12.603 -20.893 1.00 0.00 C ATOM 2072 O SER A 131 0.856 11.977 -20.402 1.00 0.00 O ATOM 2073 CB SER A 131 0.269 13.125 -23.314 1.00 0.00 C ATOM 2074 OG SER A 131 -0.133 14.067 -24.294 1.00 0.00 O ATOM 0 H SER A 131 1.979 13.999 -20.900 1.00 0.00 H new ATOM 0 HA SER A 131 -0.680 14.407 -21.873 1.00 0.00 H new ATOM 0 HB2 SER A 131 1.296 12.813 -23.504 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.353 12.233 -23.386 1.00 0.00 H new ATOM 0 HG SER A 131 0.024 14.975 -23.959 1.00 0.00 H new ATOM 2080 N ARG A 132 -1.354 12.362 -20.585 1.00 0.00 N ATOM 2081 CA ARG A 132 -1.724 11.325 -19.629 1.00 0.00 C ATOM 2082 C ARG A 132 -0.905 10.058 -19.856 1.00 0.00 C ATOM 2083 O ARG A 132 -0.643 9.672 -20.995 1.00 0.00 O ATOM 2084 CB ARG A 132 -3.216 11.007 -19.742 1.00 0.00 C ATOM 2085 CG ARG A 132 -4.112 12.048 -19.089 1.00 0.00 C ATOM 2086 CD ARG A 132 -3.967 12.037 -17.575 1.00 0.00 C ATOM 2087 NE ARG A 132 -4.880 12.976 -16.931 1.00 0.00 N ATOM 2088 CZ ARG A 132 -6.168 12.724 -16.724 1.00 0.00 C ATOM 2089 NH1 ARG A 132 -6.691 11.567 -17.108 1.00 0.00 N ATOM 2090 NH2 ARG A 132 -6.936 13.629 -16.131 1.00 0.00 N ATOM 0 H ARG A 132 -2.144 12.870 -20.983 1.00 0.00 H new ATOM 0 HA ARG A 132 -1.513 11.698 -18.627 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.482 10.921 -20.796 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -3.408 10.036 -19.284 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -3.862 13.037 -19.472 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -5.151 11.856 -19.358 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -4.157 11.031 -17.200 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -2.941 12.288 -17.307 1.00 0.00 H new ATOM 0 HE ARG A 132 -4.509 13.875 -16.623 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -6.104 10.868 -17.563 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -7.680 11.376 -16.948 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -6.538 14.520 -15.833 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -7.925 13.434 -15.973 1.00 0.00 H new ATOM 2104 N SER A 133 -0.503 9.416 -18.764 1.00 0.00 N ATOM 2105 CA SER A 133 0.290 8.195 -18.843 1.00 0.00 C ATOM 2106 C SER A 133 -0.171 7.323 -20.007 1.00 0.00 C ATOM 2107 O SER A 133 0.590 7.055 -20.936 1.00 0.00 O ATOM 2108 CB SER A 133 0.192 7.411 -17.533 1.00 0.00 C ATOM 2109 OG SER A 133 1.293 6.533 -17.380 1.00 0.00 O ATOM 0 H SER A 133 -0.714 9.721 -17.814 1.00 0.00 H new ATOM 0 HA SER A 133 1.329 8.477 -19.012 1.00 0.00 H new ATOM 0 HB2 SER A 133 0.156 8.104 -16.693 1.00 0.00 H new ATOM 0 HB3 SER A 133 -0.737 6.841 -17.516 1.00 0.00 H new ATOM 0 HG SER A 133 1.207 6.045 -16.534 1.00 0.00 H new ATOM 2115 N GLY A 134 -1.424 6.881 -19.947 1.00 0.00 N ATOM 2116 CA GLY A 134 -1.966 6.043 -21.001 1.00 0.00 C ATOM 2117 C GLY A 134 -3.335 5.493 -20.657 1.00 0.00 C ATOM 2118 O GLY A 134 -3.898 5.784 -19.601 1.00 0.00 O ATOM 0 H GLY A 134 -2.073 7.088 -19.188 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.031 6.621 -21.923 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.282 5.215 -21.191 1.00 0.00 H new ATOM 2122 N PRO A 135 -3.894 4.677 -21.564 1.00 0.00 N ATOM 2123 CA PRO A 135 -5.214 4.069 -21.374 1.00 0.00 C ATOM 2124 C PRO A 135 -5.211 3.008 -20.278 1.00 0.00 C ATOM 2125 O PRO A 135 -6.264 2.632 -19.762 1.00 0.00 O ATOM 2126 CB PRO A 135 -5.510 3.431 -22.733 1.00 0.00 C ATOM 2127 CG PRO A 135 -4.170 3.177 -23.332 1.00 0.00 C ATOM 2128 CD PRO A 135 -3.281 4.287 -22.844 1.00 0.00 C ATOM 0 HA PRO A 135 -5.958 4.801 -21.060 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -6.076 2.506 -22.621 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -6.105 4.094 -23.361 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -3.784 2.205 -23.026 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -4.224 3.170 -24.421 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -2.253 3.950 -22.711 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.255 5.119 -23.547 1.00 0.00 H new ATOM 2136 N SER A 136 -4.022 2.531 -19.926 1.00 0.00 N ATOM 2137 CA SER A 136 -3.882 1.511 -18.893 1.00 0.00 C ATOM 2138 C SER A 136 -2.470 1.512 -18.316 1.00 0.00 C ATOM 2139 O SER A 136 -1.491 1.679 -19.043 1.00 0.00 O ATOM 2140 CB SER A 136 -4.212 0.130 -19.463 1.00 0.00 C ATOM 2141 OG SER A 136 -5.604 -0.009 -19.690 1.00 0.00 O ATOM 0 H SER A 136 -3.141 2.834 -20.341 1.00 0.00 H new ATOM 0 HA SER A 136 -4.583 1.742 -18.091 1.00 0.00 H new ATOM 0 HB2 SER A 136 -3.671 -0.020 -20.397 1.00 0.00 H new ATOM 0 HB3 SER A 136 -3.874 -0.642 -18.772 1.00 0.00 H new ATOM 0 HG SER A 136 -6.039 0.865 -19.601 1.00 0.00 H new ATOM 2147 N SER A 137 -2.374 1.323 -17.004 1.00 0.00 N ATOM 2148 CA SER A 137 -1.082 1.306 -16.327 1.00 0.00 C ATOM 2149 C SER A 137 -0.202 0.182 -16.865 1.00 0.00 C ATOM 2150 O SER A 137 0.964 0.396 -17.195 1.00 0.00 O ATOM 2151 CB SER A 137 -1.276 1.139 -14.818 1.00 0.00 C ATOM 2152 OG SER A 137 -2.101 0.024 -14.530 1.00 0.00 O ATOM 0 H SER A 137 -3.175 1.180 -16.389 1.00 0.00 H new ATOM 0 HA SER A 137 -0.585 2.257 -16.520 1.00 0.00 H new ATOM 0 HB2 SER A 137 -0.307 1.012 -14.335 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.723 2.043 -14.403 1.00 0.00 H new ATOM 0 HG SER A 137 -2.208 -0.062 -13.560 1.00 0.00 H new ATOM 2158 N GLY A 138 -0.770 -1.017 -16.951 1.00 0.00 N ATOM 2159 CA GLY A 138 -0.023 -2.157 -17.449 1.00 0.00 C ATOM 2160 C GLY A 138 -0.281 -3.416 -16.644 1.00 0.00 C ATOM 2161 O GLY A 138 0.149 -3.525 -15.496 1.00 0.00 O ATOM 0 H GLY A 138 -1.734 -1.219 -16.685 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -0.289 -2.335 -18.491 1.00 0.00 H new ATOM 0 HA3 GLY A 138 1.042 -1.927 -17.427 1.00 0.00 H new TER 2165 GLY A 138