USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 413 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 1 TYR OH : rot -129:sc= 0.529 USER MOD Set 1.2: A -1 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 35 THR OG1 : rot 83:sc= 1.42 USER MOD Single : A 7 GLN : amide:sc= -0.0461 K(o=-0.046,f=-1.6!) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0103 F(o=-1.2,f=-0.01) USER MOD Single : A 12 LYS NZ :NH3+ -135:sc= 0 (180deg=-1.2) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 32 GLN : amide:sc= -0.248 K(o=-0.25,f=-3.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.54! X(o=-2.5!,f=-2.7) USER MOD Single : A 38 THR OG1 : rot -149:sc= 0.496 USER MOD Single : A 43 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.13) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 25:sc= 0.595 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -4.898 24.129 -4.950 1.00 0.00 N ATOM 2 CA GLY A -6 -4.561 22.732 -5.148 1.00 0.00 C ATOM 3 C GLY A -6 -5.685 21.951 -5.799 1.00 0.00 C ATOM 4 O GLY A -6 -6.609 21.498 -5.122 1.00 0.00 O ATOM 0 H1 GLY A -6 -4.097 24.619 -4.502 1.00 0.00 H new ATOM 0 H2 GLY A -6 -5.104 24.570 -5.869 1.00 0.00 H new ATOM 0 H3 GLY A -6 -5.735 24.201 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -3.667 22.661 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -4.318 22.280 -4.186 1.00 0.00 H new ATOM 8 N SER A -5 -5.609 21.793 -7.117 1.00 0.00 N ATOM 9 CA SER A -5 -6.631 21.066 -7.860 1.00 0.00 C ATOM 10 C SER A -5 -6.428 19.560 -7.731 1.00 0.00 C ATOM 11 O SER A -5 -5.341 19.096 -7.386 1.00 0.00 O ATOM 12 CB SER A -5 -6.603 21.472 -9.335 1.00 0.00 C ATOM 13 OG SER A -5 -5.500 20.886 -10.005 1.00 0.00 O ATOM 0 H SER A -5 -4.850 22.159 -7.692 1.00 0.00 H new ATOM 0 HA SER A -5 -7.603 21.321 -7.438 1.00 0.00 H new ATOM 0 HB2 SER A -5 -7.531 21.165 -9.818 1.00 0.00 H new ATOM 0 HB3 SER A -5 -6.546 22.558 -9.416 1.00 0.00 H new ATOM 0 HG SER A -5 -5.506 21.160 -10.946 1.00 0.00 H new ATOM 19 N SER A -4 -7.483 18.801 -8.011 1.00 0.00 N ATOM 20 CA SER A -4 -7.424 17.347 -7.922 1.00 0.00 C ATOM 21 C SER A -4 -7.289 16.723 -9.308 1.00 0.00 C ATOM 22 O SER A -4 -7.874 17.205 -10.278 1.00 0.00 O ATOM 23 CB SER A -4 -8.674 16.805 -7.227 1.00 0.00 C ATOM 24 OG SER A -4 -8.640 15.391 -7.145 1.00 0.00 O ATOM 0 H SER A -4 -8.389 19.169 -8.301 1.00 0.00 H new ATOM 0 HA SER A -4 -6.546 17.080 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A -4 -8.749 17.229 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A -4 -9.563 17.119 -7.774 1.00 0.00 H new ATOM 0 HG SER A -4 -9.449 15.070 -6.695 1.00 0.00 H new ATOM 30 N GLY A -3 -6.512 15.648 -9.394 1.00 0.00 N ATOM 31 CA GLY A -3 -6.313 14.975 -10.665 1.00 0.00 C ATOM 32 C GLY A -3 -5.275 13.874 -10.582 1.00 0.00 C ATOM 33 O GLY A -3 -5.552 12.787 -10.075 1.00 0.00 O ATOM 0 H GLY A -3 -6.016 15.231 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -7.260 14.553 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -6.005 15.704 -11.414 1.00 0.00 H new ATOM 37 N SER A -2 -4.076 14.155 -11.082 1.00 0.00 N ATOM 38 CA SER A -2 -2.993 13.178 -11.067 1.00 0.00 C ATOM 39 C SER A -2 -2.760 12.647 -9.656 1.00 0.00 C ATOM 40 O SER A -2 -2.885 13.381 -8.676 1.00 0.00 O ATOM 41 CB SER A -2 -1.706 13.803 -11.609 1.00 0.00 C ATOM 42 OG SER A -2 -1.286 14.887 -10.799 1.00 0.00 O ATOM 0 H SER A -2 -3.830 15.051 -11.503 1.00 0.00 H new ATOM 0 HA SER A -2 -3.280 12.344 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A -2 -0.920 13.049 -11.649 1.00 0.00 H new ATOM 0 HB3 SER A -2 -1.868 14.149 -12.630 1.00 0.00 H new ATOM 0 HG SER A -2 -0.461 15.268 -11.165 1.00 0.00 H new ATOM 48 N SER A -1 -2.420 11.366 -9.561 1.00 0.00 N ATOM 49 CA SER A -1 -2.172 10.734 -8.270 1.00 0.00 C ATOM 50 C SER A -1 -0.675 10.637 -7.991 1.00 0.00 C ATOM 51 O SER A -1 0.149 10.915 -8.861 1.00 0.00 O ATOM 52 CB SER A -1 -2.801 9.340 -8.232 1.00 0.00 C ATOM 53 OG SER A -1 -4.157 9.403 -7.826 1.00 0.00 O ATOM 0 H SER A -1 -2.310 10.745 -10.363 1.00 0.00 H new ATOM 0 HA SER A -1 -2.628 11.352 -7.497 1.00 0.00 H new ATOM 0 HB2 SER A -1 -2.734 8.881 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A -1 -2.242 8.704 -7.546 1.00 0.00 H new ATOM 0 HG SER A -1 -4.536 8.500 -7.812 1.00 0.00 H new ATOM 59 N GLY A 0 -0.332 10.239 -6.770 1.00 0.00 N ATOM 60 CA GLY A 0 1.065 10.112 -6.396 1.00 0.00 C ATOM 61 C GLY A 0 1.262 9.224 -5.184 1.00 0.00 C ATOM 62 O GLY A 0 1.898 9.625 -4.209 1.00 0.00 O ATOM 0 H GLY A 0 -0.996 10.002 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 0 1.627 9.705 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 0 1.474 11.101 -6.188 1.00 0.00 H new ATOM 66 N TYR A 1 0.715 8.015 -5.243 1.00 0.00 N ATOM 67 CA TYR A 1 0.830 7.070 -4.139 1.00 0.00 C ATOM 68 C TYR A 1 2.294 6.821 -3.786 1.00 0.00 C ATOM 69 O TYR A 1 2.631 6.573 -2.629 1.00 0.00 O ATOM 70 CB TYR A 1 0.149 5.748 -4.499 1.00 0.00 C ATOM 71 CG TYR A 1 -1.306 5.901 -4.879 1.00 0.00 C ATOM 72 CD1 TYR A 1 -2.220 6.465 -3.997 1.00 0.00 C ATOM 73 CD2 TYR A 1 -1.767 5.482 -6.121 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.550 6.606 -4.340 1.00 0.00 C ATOM 75 CE2 TYR A 1 -3.096 5.621 -6.474 1.00 0.00 C ATOM 76 CZ TYR A 1 -3.984 6.182 -5.580 1.00 0.00 C ATOM 77 OH TYR A 1 -5.308 6.322 -5.926 1.00 0.00 O ATOM 0 H TYR A 1 0.188 7.666 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 1 0.333 7.502 -3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.686 5.286 -5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.225 5.067 -3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.884 6.799 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.075 5.040 -6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -4.247 7.046 -3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -3.437 5.292 -7.444 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.650 5.468 -6.263 1.00 0.00 H new ATOM 87 N GLY A 2 3.159 6.890 -4.793 1.00 0.00 N ATOM 88 CA GLY A 2 4.576 6.671 -4.570 1.00 0.00 C ATOM 89 C GLY A 2 5.106 7.459 -3.388 1.00 0.00 C ATOM 90 O GLY A 2 6.047 7.031 -2.720 1.00 0.00 O ATOM 0 H GLY A 2 2.904 7.094 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.754 5.609 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.129 6.951 -5.467 1.00 0.00 H new ATOM 94 N ALA A 3 4.501 8.614 -3.130 1.00 0.00 N ATOM 95 CA ALA A 3 4.917 9.463 -2.021 1.00 0.00 C ATOM 96 C ALA A 3 4.567 8.826 -0.680 1.00 0.00 C ATOM 97 O ALA A 3 5.309 8.958 0.293 1.00 0.00 O ATOM 98 CB ALA A 3 4.275 10.837 -2.138 1.00 0.00 C ATOM 0 H ALA A 3 3.721 8.983 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 3 6.000 9.575 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.595 11.460 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.580 11.302 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.190 10.734 -2.120 1.00 0.00 H new ATOM 104 N TRP A 4 3.433 8.135 -0.637 1.00 0.00 N ATOM 105 CA TRP A 4 2.985 7.478 0.585 1.00 0.00 C ATOM 106 C TRP A 4 4.103 6.639 1.194 1.00 0.00 C ATOM 107 O TRP A 4 5.087 6.322 0.526 1.00 0.00 O ATOM 108 CB TRP A 4 1.768 6.597 0.298 1.00 0.00 C ATOM 109 CG TRP A 4 0.538 7.379 -0.053 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.482 8.688 -0.439 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.811 6.901 -0.049 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.822 9.053 -0.675 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.634 7.974 -0.444 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.404 5.672 0.248 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -3.017 7.852 -0.547 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.777 5.552 0.145 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.571 6.637 -0.250 1.00 0.00 C ATOM 0 H TRP A 4 2.808 8.016 -1.434 1.00 0.00 H new ATOM 0 HA TRP A 4 2.705 8.251 1.301 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.005 5.919 -0.522 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.561 5.980 1.172 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.336 9.340 -0.543 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.134 9.977 -0.974 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.800 4.830 0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.631 8.687 -0.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.246 4.606 0.373 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.641 6.512 -0.321 1.00 0.00 H new ATOM 128 N ALA A 5 3.946 6.284 2.465 1.00 0.00 N ATOM 129 CA ALA A 5 4.941 5.480 3.162 1.00 0.00 C ATOM 130 C ALA A 5 4.512 4.019 3.239 1.00 0.00 C ATOM 131 O ALA A 5 3.320 3.713 3.259 1.00 0.00 O ATOM 132 CB ALA A 5 5.185 6.034 4.558 1.00 0.00 C ATOM 0 H ALA A 5 3.139 6.541 3.033 1.00 0.00 H new ATOM 0 HA ALA A 5 5.871 5.529 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.931 5.423 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.545 7.060 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.254 6.016 5.124 1.00 0.00 H new ATOM 138 N ALA A 6 5.490 3.120 3.280 1.00 0.00 N ATOM 139 CA ALA A 6 5.212 1.691 3.356 1.00 0.00 C ATOM 140 C ALA A 6 4.059 1.406 4.313 1.00 0.00 C ATOM 141 O ALA A 6 3.245 0.516 4.069 1.00 0.00 O ATOM 142 CB ALA A 6 6.459 0.933 3.788 1.00 0.00 C ATOM 0 H ALA A 6 6.482 3.356 3.262 1.00 0.00 H new ATOM 0 HA ALA A 6 4.918 1.350 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.237 -0.133 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.257 1.102 3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.778 1.286 4.769 1.00 0.00 H new ATOM 148 N GLN A 7 3.998 2.166 5.401 1.00 0.00 N ATOM 149 CA GLN A 7 2.945 1.993 6.395 1.00 0.00 C ATOM 150 C GLN A 7 1.579 2.329 5.805 1.00 0.00 C ATOM 151 O GLN A 7 0.670 1.501 5.811 1.00 0.00 O ATOM 152 CB GLN A 7 3.218 2.872 7.616 1.00 0.00 C ATOM 153 CG GLN A 7 2.503 2.406 8.874 1.00 0.00 C ATOM 154 CD GLN A 7 2.425 3.485 9.936 1.00 0.00 C ATOM 155 OE1 GLN A 7 2.488 4.677 9.632 1.00 0.00 O ATOM 156 NE2 GLN A 7 2.288 3.073 11.190 1.00 0.00 N ATOM 0 H GLN A 7 4.665 2.907 5.617 1.00 0.00 H new ATOM 0 HA GLN A 7 2.939 0.948 6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.291 2.893 7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.913 3.894 7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.495 2.083 8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.021 1.538 9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.240 2.075 11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.231 3.754 11.947 1.00 0.00 H new ATOM 165 N GLU A 8 1.444 3.550 5.298 1.00 0.00 N ATOM 166 CA GLU A 8 0.188 3.996 4.705 1.00 0.00 C ATOM 167 C GLU A 8 -0.329 2.976 3.695 1.00 0.00 C ATOM 168 O GLU A 8 -1.452 2.484 3.811 1.00 0.00 O ATOM 169 CB GLU A 8 0.373 5.355 4.026 1.00 0.00 C ATOM 170 CG GLU A 8 0.775 6.464 4.984 1.00 0.00 C ATOM 171 CD GLU A 8 -0.287 6.746 6.029 1.00 0.00 C ATOM 172 OE1 GLU A 8 -1.165 7.594 5.767 1.00 0.00 O ATOM 173 OE2 GLU A 8 -0.239 6.120 7.108 1.00 0.00 O ATOM 0 H GLU A 8 2.188 4.248 5.286 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.547 4.095 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.133 5.264 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.557 5.634 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.705 6.190 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.973 7.374 4.418 1.00 0.00 H new ATOM 180 N LEU A 9 0.498 2.663 2.703 1.00 0.00 N ATOM 181 CA LEU A 9 0.125 1.702 1.671 1.00 0.00 C ATOM 182 C LEU A 9 -0.392 0.409 2.292 1.00 0.00 C ATOM 183 O LEU A 9 -1.483 -0.056 1.961 1.00 0.00 O ATOM 184 CB LEU A 9 1.324 1.404 0.768 1.00 0.00 C ATOM 185 CG LEU A 9 1.945 2.607 0.058 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.360 2.285 -0.398 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.086 3.030 -1.124 1.00 0.00 C ATOM 0 H LEU A 9 1.431 3.061 2.592 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.674 2.140 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.096 0.924 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.014 0.682 0.013 1.00 0.00 H new ATOM 0 HG LEU A 9 1.992 3.437 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.786 3.153 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.972 2.030 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.337 1.441 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.543 3.888 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.007 2.204 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.091 3.302 -0.772 1.00 0.00 H new ATOM 199 N GLN A 10 0.396 -0.165 3.196 1.00 0.00 N ATOM 200 CA GLN A 10 0.015 -1.403 3.864 1.00 0.00 C ATOM 201 C GLN A 10 -1.333 -1.254 4.561 1.00 0.00 C ATOM 202 O GLN A 10 -2.191 -2.131 4.468 1.00 0.00 O ATOM 203 CB GLN A 10 1.085 -1.809 4.879 1.00 0.00 C ATOM 204 CG GLN A 10 2.205 -2.645 4.282 1.00 0.00 C ATOM 205 CD GLN A 10 3.068 -3.306 5.339 1.00 0.00 C ATOM 206 OE1 GLN A 10 2.987 -4.629 5.427 1.00 0.00 O flip ATOM 207 NE2 GLN A 10 3.799 -2.636 6.068 1.00 0.00 N flip ATOM 0 H GLN A 10 1.301 0.208 3.482 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.073 -2.182 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.512 -0.910 5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.614 -2.371 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.776 -3.412 3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.830 -2.012 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.830 -1.622 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.374 -3.095 6.775 1.00 0.00 H new ATOM 216 N ALA A 11 -1.512 -0.137 5.259 1.00 0.00 N ATOM 217 CA ALA A 11 -2.757 0.127 5.970 1.00 0.00 C ATOM 218 C ALA A 11 -3.957 0.022 5.035 1.00 0.00 C ATOM 219 O ALA A 11 -4.865 -0.777 5.260 1.00 0.00 O ATOM 220 CB ALA A 11 -2.711 1.502 6.620 1.00 0.00 C ATOM 0 H ALA A 11 -0.811 0.599 5.347 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.869 -0.628 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.647 1.687 7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.882 1.543 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.571 2.263 5.852 1.00 0.00 H new ATOM 226 N LYS A 12 -3.954 0.835 3.983 1.00 0.00 N ATOM 227 CA LYS A 12 -5.042 0.833 3.012 1.00 0.00 C ATOM 228 C LYS A 12 -5.201 -0.543 2.375 1.00 0.00 C ATOM 229 O LYS A 12 -6.222 -1.208 2.554 1.00 0.00 O ATOM 230 CB LYS A 12 -4.786 1.883 1.928 1.00 0.00 C ATOM 231 CG LYS A 12 -5.089 3.303 2.372 1.00 0.00 C ATOM 232 CD LYS A 12 -6.585 3.544 2.489 1.00 0.00 C ATOM 233 CE LYS A 12 -7.233 3.697 1.122 1.00 0.00 C ATOM 234 NZ LYS A 12 -8.718 3.754 1.215 1.00 0.00 N ATOM 0 H LYS A 12 -3.210 1.503 3.782 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.965 1.079 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.743 1.824 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.394 1.647 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.613 3.494 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.661 4.007 1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.048 2.713 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.765 4.442 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.864 4.605 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.941 2.861 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.135 3.142 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.020 3.427 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.038 4.733 1.070 1.00 0.00 H new ATOM 248 N LEU A 13 -4.184 -0.967 1.632 1.00 0.00 N ATOM 249 CA LEU A 13 -4.210 -2.266 0.969 1.00 0.00 C ATOM 250 C LEU A 13 -4.855 -3.321 1.863 1.00 0.00 C ATOM 251 O LEU A 13 -5.599 -4.179 1.389 1.00 0.00 O ATOM 252 CB LEU A 13 -2.792 -2.698 0.594 1.00 0.00 C ATOM 253 CG LEU A 13 -2.098 -1.862 -0.482 1.00 0.00 C ATOM 254 CD1 LEU A 13 -0.808 -2.532 -0.930 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.027 -1.642 -1.668 1.00 0.00 C ATOM 0 H LEU A 13 -3.331 -0.430 1.474 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.806 -2.171 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.178 -2.678 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.827 -3.733 0.255 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.849 -0.890 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.328 -1.922 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.137 -2.637 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.033 -3.517 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.517 -1.045 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.307 -2.605 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.923 -1.118 -1.336 1.00 0.00 H new ATOM 267 N ALA A 14 -4.566 -3.248 3.158 1.00 0.00 N ATOM 268 CA ALA A 14 -5.122 -4.193 4.118 1.00 0.00 C ATOM 269 C ALA A 14 -6.538 -3.798 4.522 1.00 0.00 C ATOM 270 O ALA A 14 -7.384 -4.657 4.770 1.00 0.00 O ATOM 271 CB ALA A 14 -4.228 -4.285 5.346 1.00 0.00 C ATOM 0 H ALA A 14 -3.950 -2.545 3.566 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.168 -5.172 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.655 -4.994 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.235 -4.622 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.152 -3.304 5.815 1.00 0.00 H new ATOM 277 N GLU A 15 -6.789 -2.494 4.585 1.00 0.00 N ATOM 278 CA GLU A 15 -8.103 -1.987 4.960 1.00 0.00 C ATOM 279 C GLU A 15 -9.149 -2.357 3.912 1.00 0.00 C ATOM 280 O GLU A 15 -10.210 -2.888 4.239 1.00 0.00 O ATOM 281 CB GLU A 15 -8.057 -0.468 5.137 1.00 0.00 C ATOM 282 CG GLU A 15 -9.420 0.158 5.381 1.00 0.00 C ATOM 283 CD GLU A 15 -9.866 0.037 6.826 1.00 0.00 C ATOM 284 OE1 GLU A 15 -9.112 0.476 7.719 1.00 0.00 O ATOM 285 OE2 GLU A 15 -10.971 -0.496 7.062 1.00 0.00 O ATOM 0 H GLU A 15 -6.100 -1.770 4.381 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.385 -2.447 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.401 -0.228 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.615 -0.020 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.388 1.211 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.157 -0.321 4.736 1.00 0.00 H new ATOM 292 N ILE A 16 -8.840 -2.073 2.651 1.00 0.00 N ATOM 293 CA ILE A 16 -9.751 -2.375 1.555 1.00 0.00 C ATOM 294 C ILE A 16 -9.975 -3.878 1.426 1.00 0.00 C ATOM 295 O ILE A 16 -10.844 -4.325 0.677 1.00 0.00 O ATOM 296 CB ILE A 16 -9.222 -1.829 0.216 1.00 0.00 C ATOM 297 CG1 ILE A 16 -7.812 -2.359 -0.055 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.230 -0.308 0.224 1.00 0.00 C ATOM 299 CD1 ILE A 16 -7.320 -2.078 -1.457 1.00 0.00 C ATOM 0 H ILE A 16 -7.965 -1.634 2.364 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.698 -1.887 1.787 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.878 -2.172 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.121 -1.912 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.798 -3.435 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.853 0.063 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.248 0.050 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.594 0.055 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.315 -2.482 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.989 -2.548 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.301 -1.002 -1.627 1.00 0.00 H new ATOM 311 N GLY A 17 -9.186 -4.654 2.162 1.00 0.00 N ATOM 312 CA GLY A 17 -9.315 -6.099 2.117 1.00 0.00 C ATOM 313 C GLY A 17 -8.482 -6.722 1.015 1.00 0.00 C ATOM 314 O GLY A 17 -8.866 -7.736 0.434 1.00 0.00 O ATOM 0 H GLY A 17 -8.460 -4.308 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.013 -6.518 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.362 -6.363 1.970 1.00 0.00 H new ATOM 318 N ALA A 18 -7.337 -6.111 0.725 1.00 0.00 N ATOM 319 CA ALA A 18 -6.447 -6.612 -0.315 1.00 0.00 C ATOM 320 C ALA A 18 -5.132 -7.106 0.279 1.00 0.00 C ATOM 321 O ALA A 18 -4.765 -6.766 1.404 1.00 0.00 O ATOM 322 CB ALA A 18 -6.186 -5.530 -1.353 1.00 0.00 C ATOM 0 H ALA A 18 -7.005 -5.269 1.196 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.936 -7.456 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.520 -5.918 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.129 -5.227 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.722 -4.669 -0.872 1.00 0.00 H new ATOM 328 N PRO A 19 -4.405 -7.927 -0.493 1.00 0.00 N ATOM 329 CA PRO A 19 -3.119 -8.485 -0.063 1.00 0.00 C ATOM 330 C PRO A 19 -2.024 -7.427 0.012 1.00 0.00 C ATOM 331 O PRO A 19 -1.851 -6.633 -0.913 1.00 0.00 O ATOM 332 CB PRO A 19 -2.796 -9.512 -1.152 1.00 0.00 C ATOM 333 CG PRO A 19 -3.528 -9.030 -2.356 1.00 0.00 C ATOM 334 CD PRO A 19 -4.781 -8.374 -1.845 1.00 0.00 C ATOM 0 HA PRO A 19 -3.174 -8.909 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.723 -9.569 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.123 -10.511 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.922 -8.324 -2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.766 -9.857 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.082 -7.537 -2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.618 -9.072 -1.819 1.00 0.00 H new ATOM 342 N ILE A 20 -1.288 -7.422 1.118 1.00 0.00 N ATOM 343 CA ILE A 20 -0.208 -6.462 1.313 1.00 0.00 C ATOM 344 C ILE A 20 1.135 -7.055 0.904 1.00 0.00 C ATOM 345 O ILE A 20 2.115 -6.963 1.642 1.00 0.00 O ATOM 346 CB ILE A 20 -0.126 -5.996 2.779 1.00 0.00 C ATOM 347 CG1 ILE A 20 -0.102 -7.202 3.719 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.297 -5.082 3.110 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.155 -6.837 5.164 1.00 0.00 C ATOM 0 H ILE A 20 -1.420 -8.072 1.893 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.431 -5.603 0.680 1.00 0.00 H new ATOM 0 HB ILE A 20 0.798 -5.434 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.055 -7.726 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.669 -7.897 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.225 -4.761 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.273 -4.209 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.233 -5.621 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.158 -7.741 5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.121 -6.340 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.629 -6.166 5.515 1.00 0.00 H new ATOM 361 N GLN A 21 1.173 -7.661 -0.279 1.00 0.00 N ATOM 362 CA GLN A 21 2.398 -8.268 -0.786 1.00 0.00 C ATOM 363 C GLN A 21 3.064 -7.367 -1.821 1.00 0.00 C ATOM 364 O GLN A 21 2.396 -6.596 -2.509 1.00 0.00 O ATOM 365 CB GLN A 21 2.096 -9.636 -1.403 1.00 0.00 C ATOM 366 CG GLN A 21 1.757 -10.704 -0.376 1.00 0.00 C ATOM 367 CD GLN A 21 1.593 -12.078 -0.996 1.00 0.00 C ATOM 368 OE1 GLN A 21 2.440 -12.955 -0.823 1.00 0.00 O ATOM 369 NE2 GLN A 21 0.499 -12.272 -1.724 1.00 0.00 N ATOM 0 H GLN A 21 0.371 -7.744 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 21 3.084 -8.397 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.263 -9.536 -2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.959 -9.962 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.544 -10.741 0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.836 -10.429 0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.177 -11.517 -1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.334 -13.176 -2.166 1.00 0.00 H new ATOM 378 N GLY A 22 4.386 -7.469 -1.924 1.00 0.00 N ATOM 379 CA GLY A 22 5.120 -6.657 -2.876 1.00 0.00 C ATOM 380 C GLY A 22 5.917 -5.555 -2.205 1.00 0.00 C ATOM 381 O GLY A 22 5.576 -5.113 -1.109 1.00 0.00 O ATOM 0 H GLY A 22 4.961 -8.099 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.796 -7.294 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.422 -6.215 -3.587 1.00 0.00 H new ATOM 385 N ASN A 23 6.982 -5.112 -2.865 1.00 0.00 N ATOM 386 CA ASN A 23 7.831 -4.057 -2.324 1.00 0.00 C ATOM 387 C ASN A 23 7.218 -2.683 -2.576 1.00 0.00 C ATOM 388 O ASN A 23 6.163 -2.567 -3.200 1.00 0.00 O ATOM 389 CB ASN A 23 9.227 -4.127 -2.948 1.00 0.00 C ATOM 390 CG ASN A 23 10.007 -5.342 -2.485 1.00 0.00 C ATOM 391 OD1 ASN A 23 9.578 -6.479 -2.679 1.00 0.00 O ATOM 392 ND2 ASN A 23 11.159 -5.106 -1.868 1.00 0.00 N ATOM 0 H ASN A 23 7.277 -5.467 -3.774 1.00 0.00 H new ATOM 0 HA ASN A 23 7.913 -4.207 -1.247 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.136 -4.149 -4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.782 -3.224 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.727 -5.884 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.476 -4.146 -1.729 1.00 0.00 H new ATOM 399 N ARG A 24 7.887 -1.643 -2.087 1.00 0.00 N ATOM 400 CA ARG A 24 7.408 -0.277 -2.258 1.00 0.00 C ATOM 401 C ARG A 24 6.745 -0.100 -3.621 1.00 0.00 C ATOM 402 O ARG A 24 5.561 0.224 -3.708 1.00 0.00 O ATOM 403 CB ARG A 24 8.564 0.714 -2.109 1.00 0.00 C ATOM 404 CG ARG A 24 8.126 2.169 -2.136 1.00 0.00 C ATOM 405 CD ARG A 24 9.314 3.111 -2.019 1.00 0.00 C ATOM 406 NE ARG A 24 9.875 3.450 -3.324 1.00 0.00 N ATOM 407 CZ ARG A 24 10.756 4.426 -3.514 1.00 0.00 C ATOM 408 NH1 ARG A 24 11.174 5.154 -2.489 1.00 0.00 N ATOM 409 NH2 ARG A 24 11.220 4.674 -4.732 1.00 0.00 N ATOM 0 H ARG A 24 8.762 -1.721 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 24 6.667 -0.079 -1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.082 0.517 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.282 0.545 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.590 2.371 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.430 2.356 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.004 4.023 -1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.084 2.648 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 24 9.574 2.908 -4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.819 4.966 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.851 5.903 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.900 4.115 -5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.896 5.424 -4.877 1.00 0.00 H new ATOM 423 N GLU A 25 7.517 -0.316 -4.682 1.00 0.00 N ATOM 424 CA GLU A 25 7.004 -0.179 -6.040 1.00 0.00 C ATOM 425 C GLU A 25 5.724 -0.989 -6.222 1.00 0.00 C ATOM 426 O GLU A 25 4.734 -0.492 -6.759 1.00 0.00 O ATOM 427 CB GLU A 25 8.056 -0.631 -7.054 1.00 0.00 C ATOM 428 CG GLU A 25 8.587 -2.031 -6.796 1.00 0.00 C ATOM 429 CD GLU A 25 9.670 -2.434 -7.779 1.00 0.00 C ATOM 430 OE1 GLU A 25 9.467 -2.244 -8.996 1.00 0.00 O ATOM 431 OE2 GLU A 25 10.720 -2.940 -7.330 1.00 0.00 O ATOM 0 H GLU A 25 8.499 -0.586 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 25 6.775 0.873 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.624 -0.594 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.888 0.073 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.984 -2.084 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.765 -2.744 -6.854 1.00 0.00 H new ATOM 438 N GLU A 26 5.752 -2.239 -5.772 1.00 0.00 N ATOM 439 CA GLU A 26 4.595 -3.119 -5.887 1.00 0.00 C ATOM 440 C GLU A 26 3.369 -2.495 -5.226 1.00 0.00 C ATOM 441 O GLU A 26 2.326 -2.327 -5.859 1.00 0.00 O ATOM 442 CB GLU A 26 4.894 -4.478 -5.250 1.00 0.00 C ATOM 443 CG GLU A 26 6.114 -5.169 -5.836 1.00 0.00 C ATOM 444 CD GLU A 26 5.962 -5.466 -7.315 1.00 0.00 C ATOM 445 OE1 GLU A 26 5.299 -6.468 -7.655 1.00 0.00 O ATOM 446 OE2 GLU A 26 6.507 -4.696 -8.133 1.00 0.00 O ATOM 0 H GLU A 26 6.563 -2.665 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 26 4.383 -3.261 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.043 -4.343 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.026 -5.126 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.991 -4.540 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.292 -6.100 -5.299 1.00 0.00 H new ATOM 453 N LEU A 27 3.503 -2.153 -3.949 1.00 0.00 N ATOM 454 CA LEU A 27 2.407 -1.547 -3.201 1.00 0.00 C ATOM 455 C LEU A 27 1.761 -0.419 -3.998 1.00 0.00 C ATOM 456 O LEU A 27 0.541 -0.372 -4.151 1.00 0.00 O ATOM 457 CB LEU A 27 2.912 -1.015 -1.859 1.00 0.00 C ATOM 458 CG LEU A 27 3.754 -1.983 -1.027 1.00 0.00 C ATOM 459 CD1 LEU A 27 4.244 -1.307 0.245 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.955 -3.234 -0.694 1.00 0.00 C ATOM 0 H LEU A 27 4.359 -2.285 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 27 1.655 -2.315 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.503 -0.119 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.051 -0.711 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 27 4.623 -2.277 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.841 -2.011 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.854 -0.442 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.388 -0.983 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.570 -3.912 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.067 -2.958 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.654 -3.730 -1.617 1.00 0.00 H new ATOM 472 N VAL A 28 2.589 0.489 -4.505 1.00 0.00 N ATOM 473 CA VAL A 28 2.100 1.616 -5.290 1.00 0.00 C ATOM 474 C VAL A 28 1.349 1.139 -6.528 1.00 0.00 C ATOM 475 O VAL A 28 0.220 1.558 -6.781 1.00 0.00 O ATOM 476 CB VAL A 28 3.253 2.539 -5.726 1.00 0.00 C ATOM 477 CG1 VAL A 28 2.744 3.622 -6.666 1.00 0.00 C ATOM 478 CG2 VAL A 28 3.933 3.152 -4.512 1.00 0.00 C ATOM 0 H VAL A 28 3.602 0.466 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 28 1.419 2.176 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 28 3.990 1.942 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.573 4.265 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.307 3.160 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.987 4.219 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.745 3.801 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.208 3.736 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.334 2.359 -3.881 1.00 0.00 H new ATOM 488 N GLU A 29 1.984 0.259 -7.297 1.00 0.00 N ATOM 489 CA GLU A 29 1.376 -0.275 -8.509 1.00 0.00 C ATOM 490 C GLU A 29 0.007 -0.880 -8.210 1.00 0.00 C ATOM 491 O GLU A 29 -0.949 -0.681 -8.960 1.00 0.00 O ATOM 492 CB GLU A 29 2.286 -1.330 -9.141 1.00 0.00 C ATOM 493 CG GLU A 29 1.937 -1.649 -10.585 1.00 0.00 C ATOM 494 CD GLU A 29 2.107 -0.454 -11.503 1.00 0.00 C ATOM 495 OE1 GLU A 29 1.182 0.384 -11.563 1.00 0.00 O ATOM 496 OE2 GLU A 29 3.163 -0.356 -12.161 1.00 0.00 O ATOM 0 H GLU A 29 2.919 -0.099 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 29 1.244 0.548 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.318 -0.983 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.230 -2.245 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.569 -2.465 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.906 -1.999 -10.637 1.00 0.00 H new ATOM 503 N ARG A 30 -0.078 -1.620 -7.110 1.00 0.00 N ATOM 504 CA ARG A 30 -1.328 -2.256 -6.712 1.00 0.00 C ATOM 505 C ARG A 30 -2.438 -1.221 -6.553 1.00 0.00 C ATOM 506 O ARG A 30 -3.495 -1.328 -7.178 1.00 0.00 O ATOM 507 CB ARG A 30 -1.140 -3.023 -5.401 1.00 0.00 C ATOM 508 CG ARG A 30 -2.353 -3.846 -4.998 1.00 0.00 C ATOM 509 CD ARG A 30 -2.160 -4.492 -3.635 1.00 0.00 C ATOM 510 NE ARG A 30 -1.506 -5.794 -3.733 1.00 0.00 N ATOM 511 CZ ARG A 30 -0.188 -5.952 -3.795 1.00 0.00 C ATOM 512 NH1 ARG A 30 0.611 -4.895 -3.768 1.00 0.00 N ATOM 513 NH2 ARG A 30 0.332 -7.169 -3.884 1.00 0.00 N ATOM 0 H ARG A 30 0.704 -1.794 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.616 -2.956 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.279 -3.684 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.911 -2.315 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.236 -3.208 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.535 -4.618 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.564 -3.834 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.129 -4.609 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.093 -6.628 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.215 -3.958 -3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.622 -5.019 -3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.280 -7.985 -3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.344 -7.289 -3.932 1.00 0.00 H new ATOM 527 N LEU A 31 -2.193 -0.222 -5.714 1.00 0.00 N ATOM 528 CA LEU A 31 -3.171 0.833 -5.473 1.00 0.00 C ATOM 529 C LEU A 31 -3.623 1.467 -6.784 1.00 0.00 C ATOM 530 O LEU A 31 -4.781 1.858 -6.929 1.00 0.00 O ATOM 531 CB LEU A 31 -2.581 1.903 -4.552 1.00 0.00 C ATOM 532 CG LEU A 31 -2.578 1.576 -3.059 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.875 2.673 -2.274 1.00 0.00 C ATOM 534 CD2 LEU A 31 -3.999 1.382 -2.552 1.00 0.00 C ATOM 0 H LEU A 31 -1.325 -0.120 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.039 0.385 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.554 2.096 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.138 2.828 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.031 0.645 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.883 2.423 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.845 2.764 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.393 3.620 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.977 1.150 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.571 2.296 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.469 0.561 -3.093 1.00 0.00 H new ATOM 546 N GLN A 32 -2.702 1.564 -7.737 1.00 0.00 N ATOM 547 CA GLN A 32 -3.007 2.149 -9.037 1.00 0.00 C ATOM 548 C GLN A 32 -3.987 1.274 -9.812 1.00 0.00 C ATOM 549 O GLN A 32 -5.036 1.743 -10.254 1.00 0.00 O ATOM 550 CB GLN A 32 -1.724 2.338 -9.849 1.00 0.00 C ATOM 551 CG GLN A 32 -1.045 3.678 -9.610 1.00 0.00 C ATOM 552 CD GLN A 32 -1.724 4.815 -10.348 1.00 0.00 C ATOM 553 OE1 GLN A 32 -2.950 4.854 -10.460 1.00 0.00 O ATOM 554 NE2 GLN A 32 -0.929 5.749 -10.856 1.00 0.00 N ATOM 0 H GLN A 32 -1.739 1.245 -7.633 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.470 3.121 -8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.027 1.537 -9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.957 2.242 -10.909 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.041 3.894 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.004 3.615 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.082 5.677 -10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.329 6.539 -11.363 1.00 0.00 H new ATOM 563 N SER A 33 -3.639 0.002 -9.972 1.00 0.00 N ATOM 564 CA SER A 33 -4.486 -0.938 -10.697 1.00 0.00 C ATOM 565 C SER A 33 -5.931 -0.850 -10.214 1.00 0.00 C ATOM 566 O SER A 33 -6.863 -0.789 -11.016 1.00 0.00 O ATOM 567 CB SER A 33 -3.965 -2.366 -10.524 1.00 0.00 C ATOM 568 OG SER A 33 -4.562 -3.243 -11.463 1.00 0.00 O ATOM 0 H SER A 33 -2.776 -0.402 -9.609 1.00 0.00 H new ATOM 0 HA SER A 33 -4.457 -0.674 -11.754 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.882 -2.379 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.175 -2.713 -9.512 1.00 0.00 H new ATOM 0 HG SER A 33 -4.212 -4.149 -11.333 1.00 0.00 H new ATOM 574 N TYR A 34 -6.108 -0.845 -8.897 1.00 0.00 N ATOM 575 CA TYR A 34 -7.439 -0.767 -8.306 1.00 0.00 C ATOM 576 C TYR A 34 -8.146 0.519 -8.723 1.00 0.00 C ATOM 577 O TYR A 34 -9.189 0.484 -9.377 1.00 0.00 O ATOM 578 CB TYR A 34 -7.347 -0.840 -6.781 1.00 0.00 C ATOM 579 CG TYR A 34 -8.677 -0.660 -6.085 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.494 -1.750 -5.812 1.00 0.00 C ATOM 581 CD2 TYR A 34 -9.118 0.601 -5.700 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.710 -1.591 -5.177 1.00 0.00 C ATOM 583 CE2 TYR A 34 -10.332 0.770 -5.064 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.125 -0.329 -4.804 1.00 0.00 C ATOM 585 OH TYR A 34 -12.335 -0.165 -4.171 1.00 0.00 O ATOM 0 H TYR A 34 -5.347 -0.894 -8.219 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.021 -1.614 -8.670 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.925 -1.804 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.656 -0.074 -6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.172 -2.739 -6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.500 1.464 -5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.333 -2.450 -4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.659 1.757 -4.772 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.476 0.785 -3.976 1.00 0.00 H new ATOM 595 N THR A 35 -7.571 1.654 -8.340 1.00 0.00 N ATOM 596 CA THR A 35 -8.144 2.952 -8.673 1.00 0.00 C ATOM 597 C THR A 35 -8.467 3.046 -10.160 1.00 0.00 C ATOM 598 O THR A 35 -9.271 3.879 -10.579 1.00 0.00 O ATOM 599 CB THR A 35 -7.192 4.102 -8.292 1.00 0.00 C ATOM 600 OG1 THR A 35 -6.721 3.923 -6.952 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.892 5.447 -8.414 1.00 0.00 C ATOM 0 H THR A 35 -6.708 1.701 -7.798 1.00 0.00 H new ATOM 0 HA THR A 35 -9.065 3.047 -8.097 1.00 0.00 H new ATOM 0 HB THR A 35 -6.346 4.088 -8.979 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.963 3.302 -6.952 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.200 6.243 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.224 5.592 -9.442 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.754 5.470 -7.748 1.00 0.00 H new ATOM 609 N ARG A 36 -7.835 2.186 -10.953 1.00 0.00 N ATOM 610 CA ARG A 36 -8.055 2.173 -12.394 1.00 0.00 C ATOM 611 C ARG A 36 -9.165 1.194 -12.766 1.00 0.00 C ATOM 612 O ARG A 36 -9.896 1.409 -13.732 1.00 0.00 O ATOM 613 CB ARG A 36 -6.765 1.799 -13.125 1.00 0.00 C ATOM 614 CG ARG A 36 -5.898 2.995 -13.482 1.00 0.00 C ATOM 615 CD ARG A 36 -6.426 3.717 -14.712 1.00 0.00 C ATOM 616 NE ARG A 36 -5.916 3.133 -15.950 1.00 0.00 N ATOM 617 CZ ARG A 36 -6.213 3.599 -17.159 1.00 0.00 C ATOM 618 NH1 ARG A 36 -7.011 4.649 -17.291 1.00 0.00 N ATOM 619 NH2 ARG A 36 -5.710 3.013 -18.238 1.00 0.00 N ATOM 0 H ARG A 36 -7.167 1.490 -10.622 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.360 3.174 -12.698 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.188 1.117 -12.500 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.018 1.259 -14.038 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.864 3.686 -12.640 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.876 2.664 -13.664 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.515 3.679 -14.715 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.144 4.769 -14.664 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.299 2.324 -15.883 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.399 5.102 -16.464 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.237 5.004 -18.220 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.095 2.205 -18.140 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.938 3.371 -19.166 1.00 0.00 H new ATOM 633 N GLN A 37 -9.284 0.121 -11.991 1.00 0.00 N ATOM 634 CA GLN A 37 -10.304 -0.891 -12.241 1.00 0.00 C ATOM 635 C GLN A 37 -11.667 -0.425 -11.741 1.00 0.00 C ATOM 636 O GLN A 37 -12.689 -0.649 -12.391 1.00 0.00 O ATOM 637 CB GLN A 37 -9.922 -2.208 -11.562 1.00 0.00 C ATOM 638 CG GLN A 37 -10.448 -2.335 -10.141 1.00 0.00 C ATOM 639 CD GLN A 37 -9.740 -3.419 -9.353 1.00 0.00 C ATOM 640 OE1 GLN A 37 -8.957 -4.193 -9.903 1.00 0.00 O ATOM 641 NE2 GLN A 37 -10.012 -3.480 -8.054 1.00 0.00 N ATOM 0 H GLN A 37 -8.688 -0.070 -11.186 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.367 -1.049 -13.318 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.303 -3.038 -12.157 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.836 -2.298 -11.548 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.330 -1.381 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.516 -2.551 -10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.668 -2.818 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.565 -4.189 -7.472 1.00 0.00 H new ATOM 650 N THR A 38 -11.676 0.226 -10.581 1.00 0.00 N ATOM 651 CA THR A 38 -12.914 0.723 -9.994 1.00 0.00 C ATOM 652 C THR A 38 -13.147 2.184 -10.357 1.00 0.00 C ATOM 653 O THR A 38 -14.274 2.594 -10.632 1.00 0.00 O ATOM 654 CB THR A 38 -12.903 0.582 -8.460 1.00 0.00 C ATOM 655 OG1 THR A 38 -11.937 1.474 -7.893 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.583 -0.847 -8.049 1.00 0.00 C ATOM 0 H THR A 38 -10.840 0.421 -10.030 1.00 0.00 H new ATOM 0 HA THR A 38 -13.723 0.117 -10.402 1.00 0.00 H new ATOM 0 HB THR A 38 -13.895 0.836 -8.087 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.570 1.081 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.581 -0.921 -6.962 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.337 -1.520 -8.457 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.602 -1.125 -8.433 1.00 0.00 H new ATOM 664 N GLY A 39 -12.073 2.968 -10.358 1.00 0.00 N ATOM 665 CA GLY A 39 -12.182 4.377 -10.690 1.00 0.00 C ATOM 666 C GLY A 39 -12.475 5.237 -9.477 1.00 0.00 C ATOM 667 O GLY A 39 -12.988 6.349 -9.606 1.00 0.00 O ATOM 0 H GLY A 39 -11.129 2.652 -10.135 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.253 4.711 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.973 4.513 -11.428 1.00 0.00 H new ATOM 671 N ILE A 40 -12.150 4.722 -8.296 1.00 0.00 N ATOM 672 CA ILE A 40 -12.382 5.452 -7.056 1.00 0.00 C ATOM 673 C ILE A 40 -11.068 5.911 -6.434 1.00 0.00 C ATOM 674 O ILE A 40 -10.284 5.099 -5.942 1.00 0.00 O ATOM 675 CB ILE A 40 -13.149 4.593 -6.033 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.610 4.437 -6.459 1.00 0.00 C ATOM 677 CG2 ILE A 40 -13.059 5.214 -4.647 1.00 0.00 C ATOM 678 CD1 ILE A 40 -15.337 3.328 -5.730 1.00 0.00 C ATOM 0 H ILE A 40 -11.726 3.803 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.984 6.324 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.693 3.604 -5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.133 5.378 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.649 4.243 -7.531 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.606 4.596 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.014 5.278 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.493 6.214 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.367 3.275 -6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.838 2.378 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.330 3.531 -4.659 1.00 0.00 H new ATOM 690 N VAL A 41 -10.833 7.219 -6.458 1.00 0.00 N ATOM 691 CA VAL A 41 -9.615 7.788 -5.893 1.00 0.00 C ATOM 692 C VAL A 41 -9.487 7.453 -4.412 1.00 0.00 C ATOM 693 O VAL A 41 -10.480 7.422 -3.683 1.00 0.00 O ATOM 694 CB VAL A 41 -9.576 9.317 -6.068 1.00 0.00 C ATOM 695 CG1 VAL A 41 -8.282 9.886 -5.507 1.00 0.00 C ATOM 696 CG2 VAL A 41 -9.742 9.690 -7.533 1.00 0.00 C ATOM 0 H VAL A 41 -11.470 7.905 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.779 7.347 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.406 9.750 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.273 10.968 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.211 9.650 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.434 9.448 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.712 10.775 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.934 9.247 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.699 9.317 -7.897 1.00 0.00 H new ATOM 706 N LEU A 42 -8.259 7.202 -3.971 1.00 0.00 N ATOM 707 CA LEU A 42 -8.000 6.869 -2.575 1.00 0.00 C ATOM 708 C LEU A 42 -7.154 7.948 -1.906 1.00 0.00 C ATOM 709 O LEU A 42 -5.926 7.886 -1.922 1.00 0.00 O ATOM 710 CB LEU A 42 -7.294 5.516 -2.475 1.00 0.00 C ATOM 711 CG LEU A 42 -8.007 4.336 -3.136 1.00 0.00 C ATOM 712 CD1 LEU A 42 -7.199 3.060 -2.963 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.405 4.167 -2.561 1.00 0.00 C ATOM 0 H LEU A 42 -7.427 7.223 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.957 6.811 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.304 5.612 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.148 5.282 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.098 4.542 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.722 2.231 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.219 3.184 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.076 2.849 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.897 3.323 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.338 3.984 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.983 5.074 -2.738 1.00 0.00 H new ATOM 725 N ASN A 43 -7.821 8.935 -1.316 1.00 0.00 N ATOM 726 CA ASN A 43 -7.131 10.027 -0.640 1.00 0.00 C ATOM 727 C ASN A 43 -6.386 9.520 0.591 1.00 0.00 C ATOM 728 O ASN A 43 -6.616 8.402 1.051 1.00 0.00 O ATOM 729 CB ASN A 43 -8.127 11.116 -0.235 1.00 0.00 C ATOM 730 CG ASN A 43 -9.189 11.350 -1.293 1.00 0.00 C ATOM 731 OD1 ASN A 43 -8.981 12.109 -2.239 1.00 0.00 O ATOM 732 ND2 ASN A 43 -10.334 10.696 -1.136 1.00 0.00 N ATOM 0 H ASN A 43 -8.839 9.001 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.405 10.449 -1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.607 10.835 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.589 12.046 -0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.085 10.813 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.462 10.077 -0.336 1.00 0.00 H new ATOM 739 N ARG A 44 -5.494 10.351 1.121 1.00 0.00 N ATOM 740 CA ARG A 44 -4.716 9.987 2.299 1.00 0.00 C ATOM 741 C ARG A 44 -5.550 10.132 3.568 1.00 0.00 C ATOM 742 O ARG A 44 -6.407 11.009 3.680 1.00 0.00 O ATOM 743 CB ARG A 44 -3.463 10.858 2.397 1.00 0.00 C ATOM 744 CG ARG A 44 -2.257 10.275 1.678 1.00 0.00 C ATOM 745 CD ARG A 44 -1.197 11.333 1.419 1.00 0.00 C ATOM 746 NE ARG A 44 -0.395 11.608 2.608 1.00 0.00 N ATOM 747 CZ ARG A 44 0.673 12.398 2.608 1.00 0.00 C ATOM 748 NH1 ARG A 44 1.066 12.987 1.487 1.00 0.00 N ATOM 749 NH2 ARG A 44 1.351 12.599 3.731 1.00 0.00 N ATOM 0 H ARG A 44 -5.292 11.281 0.753 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.418 8.943 2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.682 11.842 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.213 11.003 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.830 9.470 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.573 9.836 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.545 11.002 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.677 12.253 1.085 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.670 11.169 3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.548 12.834 0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.886 13.593 1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.052 12.147 4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.171 13.206 3.730 1.00 0.00 H new ATOM 763 N PRO A 45 -5.295 9.253 4.548 1.00 0.00 N ATOM 764 CA PRO A 45 -6.012 9.262 5.826 1.00 0.00 C ATOM 765 C PRO A 45 -5.652 10.471 6.684 1.00 0.00 C ATOM 766 O PRO A 45 -4.920 11.359 6.246 1.00 0.00 O ATOM 767 CB PRO A 45 -5.549 7.970 6.503 1.00 0.00 C ATOM 768 CG PRO A 45 -4.217 7.683 5.900 1.00 0.00 C ATOM 769 CD PRO A 45 -4.288 8.181 4.483 1.00 0.00 C ATOM 0 HA PRO A 45 -7.091 9.323 5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.476 8.093 7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.250 7.155 6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.423 8.186 6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.998 6.616 5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.324 8.556 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.586 7.391 3.794 1.00 0.00 H new ATOM 777 N SER A 46 -6.169 10.498 7.908 1.00 0.00 N ATOM 778 CA SER A 46 -5.904 11.599 8.826 1.00 0.00 C ATOM 779 C SER A 46 -6.216 11.195 10.264 1.00 0.00 C ATOM 780 O SER A 46 -7.375 11.006 10.630 1.00 0.00 O ATOM 781 CB SER A 46 -6.733 12.825 8.437 1.00 0.00 C ATOM 782 OG SER A 46 -6.351 13.960 9.196 1.00 0.00 O ATOM 0 H SER A 46 -6.774 9.770 8.287 1.00 0.00 H new ATOM 0 HA SER A 46 -4.845 11.849 8.759 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.604 13.033 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.791 12.617 8.595 1.00 0.00 H new ATOM 0 HG SER A 46 -6.894 14.731 8.928 1.00 0.00 H new ATOM 788 N GLY A 47 -5.171 11.065 11.075 1.00 0.00 N ATOM 789 CA GLY A 47 -5.353 10.684 12.464 1.00 0.00 C ATOM 790 C GLY A 47 -4.581 11.576 13.416 1.00 0.00 C ATOM 791 O GLY A 47 -3.795 12.429 13.002 1.00 0.00 O ATOM 0 H GLY A 47 -4.202 11.217 10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.414 10.724 12.713 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.033 9.651 12.599 1.00 0.00 H new ATOM 795 N PRO A 48 -4.802 11.383 14.724 1.00 0.00 N ATOM 796 CA PRO A 48 -4.131 12.168 15.765 1.00 0.00 C ATOM 797 C PRO A 48 -2.645 11.843 15.868 1.00 0.00 C ATOM 798 O PRO A 48 -2.240 10.989 16.657 1.00 0.00 O ATOM 799 CB PRO A 48 -4.859 11.755 17.046 1.00 0.00 C ATOM 800 CG PRO A 48 -5.394 10.395 16.756 1.00 0.00 C ATOM 801 CD PRO A 48 -5.724 10.384 15.289 1.00 0.00 C ATOM 0 HA PRO A 48 -4.174 13.238 15.560 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.181 11.740 17.899 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.661 12.453 17.288 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.659 9.627 16.996 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.280 10.188 17.357 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.568 9.399 14.849 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.765 10.651 15.109 1.00 0.00 H new ATOM 809 N SER A 49 -1.836 12.529 15.067 1.00 0.00 N ATOM 810 CA SER A 49 -0.394 12.311 15.067 1.00 0.00 C ATOM 811 C SER A 49 0.134 12.164 16.491 1.00 0.00 C ATOM 812 O SER A 49 0.086 13.106 17.282 1.00 0.00 O ATOM 813 CB SER A 49 0.318 13.468 14.363 1.00 0.00 C ATOM 814 OG SER A 49 0.104 14.690 15.048 1.00 0.00 O ATOM 0 H SER A 49 -2.155 13.241 14.409 1.00 0.00 H new ATOM 0 HA SER A 49 -0.191 11.386 14.526 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.387 13.261 14.307 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.045 13.553 13.339 1.00 0.00 H new ATOM 0 HG SER A 49 -0.095 14.507 15.990 1.00 0.00 H new ATOM 820 N SER A 50 0.636 10.975 16.809 1.00 0.00 N ATOM 821 CA SER A 50 1.170 10.703 18.139 1.00 0.00 C ATOM 822 C SER A 50 2.677 10.936 18.178 1.00 0.00 C ATOM 823 O SER A 50 3.464 10.021 17.942 1.00 0.00 O ATOM 824 CB SER A 50 0.854 9.264 18.553 1.00 0.00 C ATOM 825 OG SER A 50 0.826 9.134 19.963 1.00 0.00 O ATOM 0 H SER A 50 0.684 10.185 16.165 1.00 0.00 H new ATOM 0 HA SER A 50 0.696 11.389 18.841 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.109 8.966 18.138 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.603 8.590 18.137 1.00 0.00 H new ATOM 0 HG SER A 50 0.620 8.206 20.202 1.00 0.00 H new ATOM 831 N GLY A 51 3.070 12.170 18.478 1.00 0.00 N ATOM 832 CA GLY A 51 4.481 12.504 18.542 1.00 0.00 C ATOM 833 C GLY A 51 4.718 13.958 18.900 1.00 0.00 C ATOM 834 O GLY A 51 5.678 14.284 19.598 1.00 0.00 O ATOM 0 H GLY A 51 2.437 12.944 18.678 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.969 11.867 19.280 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.946 12.290 17.580 1.00 0.00 H new TER 838 GLY A 51