USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1083 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 33 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.6) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 34 SER OG : rot -10:sc= 0.511 USER MOD Set 2.2: A 35 HIS : no HD1:sc= -1.66 X(o=-1.1,f=-0.72) USER MOD Set 3.1: A 12 ASN : amide:sc= -0.515 X(o=-1.9,f=-2.4) USER MOD Set 3.2: A 15 THR OG1 : rot -163:sc= -1.41! USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -4.2 F(o=-6.7!,f=-4.2) USER MOD Single : A 10 GLN : amide:sc= -2.14 K(o=-2.1,f=-2.8) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.0374 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -1.3 F(o=-3.2!,f=-1.3) USER MOD Single : A 28 ASN : amide:sc= -0.0882 K(o=-0.088,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -120:sc= -0.874 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 147:sc= 0.764 USER MOD Single : A 46 SER OG : rot -49:sc= -1.46 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-2.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 54 ASN : amide:sc= 0.0921 K(o=0.092,f=-4.3!) USER MOD Single : A 56 TYR OH : rot 62:sc= 0.541 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-7!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0965 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.313) USER MOD Single : A 87 ASN : amide:sc= -0.546 K(o=-0.55,f=-2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -54:sc= 0.807 USER MOD Single : A 92 HIS : no HD1:sc= -0.929 K(o=-0.93,f=-3!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.682 USER MOD Single : A 104 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-4.9!) USER MOD Single : A 106 TYR OH : rot -55:sc= -1.86 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 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 114 LYS NZ :NH3+ 180:sc= -0.189 (180deg=-0.189) USER MOD Single : A 116 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 124 TYR OH : rot 180:sc= -2.64! USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 126 TYR OH : rot 175:sc= 0.269 USER MOD Single : A 128 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.19) USER MOD Single : A 129 LYS NZ :NH3+ 159:sc= -0.711 (180deg=-1.85!) USER MOD Single : A 137 HIS : no HE2:sc= -4.67 K(o=-4.7,f=-8!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HE2:sc= -1.87 X(o=-1.9,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.683 -7.486 -15.336 1.00 0.00 N ATOM 12 CA VAL A 2 3.390 -8.863 -14.894 1.00 0.00 C ATOM 13 C VAL A 2 1.987 -8.883 -14.255 1.00 0.00 C ATOM 14 O VAL A 2 1.456 -7.851 -13.857 1.00 0.00 O ATOM 15 CB VAL A 2 4.534 -9.318 -13.960 1.00 0.00 C ATOM 16 CG1 VAL A 2 4.198 -10.502 -13.126 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.799 -9.789 -14.682 1.00 0.00 C ATOM 0 HA VAL A 2 3.357 -9.578 -15.716 1.00 0.00 H new ATOM 0 HB VAL A 2 4.691 -8.408 -13.381 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.051 -10.759 -12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.340 -10.271 -12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.956 -11.346 -13.772 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.547 -10.089 -13.948 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.558 -10.638 -15.322 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.194 -8.976 -15.291 1.00 0.00 H new ATOM 27 N THR A 3 1.424 -10.077 -14.139 1.00 0.00 N ATOM 28 CA THR A 3 0.126 -10.316 -13.492 1.00 0.00 C ATOM 29 C THR A 3 0.304 -10.884 -12.083 1.00 0.00 C ATOM 30 O THR A 3 0.427 -12.096 -11.889 1.00 0.00 O ATOM 31 CB THR A 3 -0.728 -11.149 -14.458 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.478 -10.198 -15.214 1.00 0.00 O ATOM 33 CG2 THR A 3 -1.662 -12.225 -13.872 1.00 0.00 C ATOM 0 H THR A 3 1.859 -10.928 -14.496 1.00 0.00 H new ATOM 0 HA THR A 3 -0.420 -9.390 -13.309 1.00 0.00 H new ATOM 0 HB THR A 3 -0.036 -11.763 -15.035 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.049 -10.668 -15.857 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.195 -12.724 -14.681 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.072 -12.957 -13.320 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.380 -11.756 -13.199 1.00 0.00 H new ATOM 41 N TRP A 4 0.423 -9.995 -11.113 1.00 0.00 N ATOM 42 CA TRP A 4 0.537 -10.386 -9.708 1.00 0.00 C ATOM 43 C TRP A 4 -0.857 -10.648 -9.124 1.00 0.00 C ATOM 44 O TRP A 4 -1.675 -9.747 -9.006 1.00 0.00 O ATOM 45 CB TRP A 4 1.277 -9.334 -8.880 1.00 0.00 C ATOM 46 CG TRP A 4 2.771 -9.231 -9.231 1.00 0.00 C ATOM 47 CD1 TRP A 4 3.283 -8.747 -10.351 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.825 -9.610 -8.415 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.619 -8.823 -10.317 1.00 0.00 N ATOM 50 CE2 TRP A 4 5.000 -9.334 -9.153 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.907 -10.214 -7.144 1.00 0.00 C ATOM 52 CZ2 TRP A 4 6.270 -9.686 -8.644 1.00 0.00 C ATOM 53 CZ3 TRP A 4 5.164 -10.581 -6.647 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.337 -10.324 -7.392 1.00 0.00 C ATOM 0 H TRP A 4 0.444 -8.987 -11.269 1.00 0.00 H new ATOM 0 HA TRP A 4 1.125 -11.303 -9.663 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.806 -8.363 -9.033 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.174 -9.575 -7.822 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.707 -8.349 -11.173 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.246 -8.534 -11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.014 -10.391 -6.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.169 -9.470 -9.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.238 -11.065 -5.685 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.297 -10.621 -6.995 1.00 0.00 H new ATOM 65 N THR A 5 -1.105 -11.906 -8.828 1.00 0.00 N ATOM 66 CA THR A 5 -2.402 -12.369 -8.326 1.00 0.00 C ATOM 67 C THR A 5 -2.261 -12.781 -6.858 1.00 0.00 C ATOM 68 O THR A 5 -1.219 -13.263 -6.418 1.00 0.00 O ATOM 69 CB THR A 5 -2.911 -13.534 -9.189 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.732 -13.154 -10.556 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.404 -13.762 -8.985 1.00 0.00 C ATOM 0 H THR A 5 -0.414 -12.650 -8.926 1.00 0.00 H new ATOM 0 HA THR A 5 -3.133 -11.563 -8.388 1.00 0.00 H new ATOM 0 HB THR A 5 -2.369 -14.440 -8.919 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.045 -13.876 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.734 -14.593 -9.609 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.597 -13.996 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.951 -12.861 -9.262 1.00 0.00 H new ATOM 79 N CYS A 6 -3.289 -12.430 -6.103 1.00 0.00 N ATOM 80 CA CYS A 6 -3.375 -12.715 -4.661 1.00 0.00 C ATOM 81 C CYS A 6 -4.706 -13.358 -4.317 1.00 0.00 C ATOM 82 O CYS A 6 -5.702 -13.191 -5.017 1.00 0.00 O ATOM 83 CB CYS A 6 -3.202 -11.422 -3.861 1.00 0.00 C ATOM 84 SG CYS A 6 -1.610 -11.411 -2.965 1.00 0.00 S ATOM 0 H CYS A 6 -4.102 -11.933 -6.468 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.577 -13.410 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.250 -10.565 -4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.023 -11.317 -3.152 1.00 0.00 H new ATOM 89 N LEU A 7 -4.679 -14.152 -3.252 1.00 0.00 N ATOM 90 CA LEU A 7 -5.878 -14.886 -2.798 1.00 0.00 C ATOM 91 C LEU A 7 -6.334 -14.362 -1.433 1.00 0.00 C ATOM 92 O LEU A 7 -5.853 -14.779 -0.375 1.00 0.00 O ATOM 93 CB LEU A 7 -5.552 -16.380 -2.745 1.00 0.00 C ATOM 94 CG LEU A 7 -5.472 -16.997 -4.131 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.446 -18.133 -4.141 1.00 0.00 C ATOM 96 CD2 LEU A 7 -6.847 -17.516 -4.560 1.00 0.00 C ATOM 0 H LEU A 7 -3.848 -14.310 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.700 -14.731 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.603 -16.525 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.315 -16.897 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.154 -16.232 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.396 -18.569 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.467 -17.741 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.744 -18.899 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.776 -17.956 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.187 -18.272 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.558 -16.690 -4.578 1.00 0.00 H new ATOM 108 N ASN A 8 -7.164 -13.324 -1.504 1.00 0.00 N ATOM 109 CA ASN A 8 -7.682 -12.637 -0.319 1.00 0.00 C ATOM 110 C ASN A 8 -9.025 -13.256 0.050 1.00 0.00 C ATOM 111 O ASN A 8 -9.774 -13.736 -0.804 1.00 0.00 O ATOM 112 CB ASN A 8 -7.900 -11.147 -0.588 1.00 0.00 C ATOM 113 CG ASN A 8 -6.696 -10.472 -1.267 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.049 -9.579 -0.571 1.00 0.00 O flip ATOM 115 ND2 ASN A 8 -6.330 -10.748 -2.404 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.498 -12.933 -2.385 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.956 -12.744 0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.781 -11.023 -1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.108 -10.641 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.837 -11.447 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.519 -10.279 -2.807 1.00 0.00 H new ATOM 122 N ASP A 9 -9.318 -13.211 1.338 1.00 0.00 N ATOM 123 CA ASP A 9 -10.580 -13.728 1.849 1.00 0.00 C ATOM 124 C ASP A 9 -11.591 -12.582 1.985 1.00 0.00 C ATOM 125 O ASP A 9 -11.233 -11.458 2.328 1.00 0.00 O ATOM 126 CB ASP A 9 -10.290 -14.422 3.173 1.00 0.00 C ATOM 127 CG ASP A 9 -10.925 -15.819 3.278 1.00 0.00 C ATOM 128 OD1 ASP A 9 -11.999 -16.032 2.678 1.00 0.00 O ATOM 129 OD2 ASP A 9 -10.388 -16.606 4.096 1.00 0.00 O ATOM 0 H ASP A 9 -8.701 -12.822 2.051 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.026 -14.453 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.211 -14.510 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.658 -13.801 3.989 1.00 0.00 H new ATOM 134 N GLN A 10 -12.857 -12.911 1.764 1.00 0.00 N ATOM 135 CA GLN A 10 -13.983 -11.959 1.861 1.00 0.00 C ATOM 136 C GLN A 10 -15.245 -12.621 2.403 1.00 0.00 C ATOM 137 O GLN A 10 -15.714 -13.610 1.837 1.00 0.00 O ATOM 138 CB GLN A 10 -14.274 -11.298 0.513 1.00 0.00 C ATOM 139 CG GLN A 10 -13.506 -9.978 0.431 1.00 0.00 C ATOM 140 CD GLN A 10 -13.212 -9.597 -1.009 1.00 0.00 C ATOM 141 OE1 GLN A 10 -12.249 -10.046 -1.608 1.00 0.00 O ATOM 142 NE2 GLN A 10 -14.048 -8.760 -1.590 1.00 0.00 N ATOM 0 H GLN A 10 -13.146 -13.855 1.509 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.677 -11.187 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.977 -11.958 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.344 -11.119 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.086 -9.187 0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.571 -10.064 0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.847 -8.396 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.896 -8.477 -2.558 1.00 0.00 H new ATOM 151 N LYS A 11 -15.672 -12.126 3.564 1.00 0.00 N ATOM 152 CA LYS A 11 -16.889 -12.608 4.234 1.00 0.00 C ATOM 153 C LYS A 11 -18.113 -12.055 3.493 1.00 0.00 C ATOM 154 O LYS A 11 -18.789 -11.125 3.928 1.00 0.00 O ATOM 155 CB LYS A 11 -16.906 -12.216 5.710 1.00 0.00 C ATOM 156 CG LYS A 11 -18.134 -12.767 6.443 1.00 0.00 C ATOM 157 CD LYS A 11 -18.445 -11.857 7.616 1.00 0.00 C ATOM 158 CE LYS A 11 -18.817 -12.684 8.844 1.00 0.00 C ATOM 159 NZ LYS A 11 -18.188 -12.054 10.017 1.00 0.00 N ATOM 0 H LYS A 11 -15.189 -11.382 4.069 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.910 -13.697 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.001 -12.586 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.892 -11.129 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.987 -12.818 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.943 -13.782 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.581 -11.231 7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.265 -11.187 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.900 -12.722 8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.472 -13.712 8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.425 -12.597 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.156 -12.039 9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.539 -11.080 10.118 1.00 0.00 H new ATOM 173 N ASN A 12 -18.313 -12.607 2.301 1.00 0.00 N ATOM 174 CA ASN A 12 -19.435 -12.242 1.415 1.00 0.00 C ATOM 175 C ASN A 12 -20.720 -12.165 2.247 1.00 0.00 C ATOM 176 O ASN A 12 -20.959 -13.092 3.006 1.00 0.00 O ATOM 177 CB ASN A 12 -19.618 -13.290 0.327 1.00 0.00 C ATOM 178 CG ASN A 12 -20.119 -12.622 -0.954 1.00 0.00 C ATOM 179 OD1 ASN A 12 -19.678 -11.556 -1.342 1.00 0.00 O ATOM 180 ND2 ASN A 12 -21.081 -13.238 -1.607 1.00 0.00 N ATOM 0 H ASN A 12 -17.703 -13.326 1.911 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.220 -11.280 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.673 -13.800 0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.329 -14.048 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.470 -12.823 -2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.438 -14.131 -1.267 1.00 0.00 H new ATOM 187 N PRO A 13 -21.446 -11.047 2.205 1.00 0.00 N ATOM 188 CA PRO A 13 -22.680 -10.862 2.992 1.00 0.00 C ATOM 189 C PRO A 13 -23.844 -11.702 2.458 1.00 0.00 C ATOM 190 O PRO A 13 -24.665 -12.184 3.229 1.00 0.00 O ATOM 191 CB PRO A 13 -22.961 -9.364 2.939 1.00 0.00 C ATOM 192 CG PRO A 13 -22.288 -8.871 1.653 1.00 0.00 C ATOM 193 CD PRO A 13 -21.147 -9.854 1.391 1.00 0.00 C ATOM 0 HA PRO A 13 -22.559 -11.207 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.033 -9.165 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.556 -8.857 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.993 -8.856 0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -21.912 -7.855 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.086 -10.108 0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.187 -9.421 1.671 1.00 0.00 H new ATOM 201 N LYS A 14 -23.807 -11.975 1.159 1.00 0.00 N ATOM 202 CA LYS A 14 -24.827 -12.809 0.474 1.00 0.00 C ATOM 203 C LYS A 14 -24.789 -14.244 1.025 1.00 0.00 C ATOM 204 O LYS A 14 -25.806 -14.796 1.440 1.00 0.00 O ATOM 205 CB LYS A 14 -24.592 -12.804 -1.042 1.00 0.00 C ATOM 206 CG LYS A 14 -25.619 -13.654 -1.817 1.00 0.00 C ATOM 207 CD LYS A 14 -27.020 -13.050 -1.723 1.00 0.00 C ATOM 208 CE LYS A 14 -28.089 -14.114 -1.530 1.00 0.00 C ATOM 209 NZ LYS A 14 -29.223 -13.494 -0.824 1.00 0.00 N ATOM 0 H LYS A 14 -23.075 -11.631 0.538 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.814 -12.389 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.631 -11.777 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.589 -13.178 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.320 -13.726 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -25.630 -14.668 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.056 -12.346 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.232 -12.484 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.410 -14.511 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.694 -14.952 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.971 -14.202 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.903 -13.134 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.597 -12.707 -1.392 1.00 0.00 H new ATOM 223 N THR A 15 -23.581 -14.777 1.074 1.00 0.00 N ATOM 224 CA THR A 15 -23.368 -16.157 1.552 1.00 0.00 C ATOM 225 C THR A 15 -22.986 -16.175 3.034 1.00 0.00 C ATOM 226 O THR A 15 -22.771 -17.249 3.595 1.00 0.00 O ATOM 227 CB THR A 15 -22.284 -16.800 0.687 1.00 0.00 C ATOM 228 OG1 THR A 15 -21.078 -16.044 0.832 1.00 0.00 O ATOM 229 CG2 THR A 15 -22.696 -16.875 -0.795 1.00 0.00 C ATOM 0 H THR A 15 -22.730 -14.290 0.794 1.00 0.00 H new ATOM 0 HA THR A 15 -24.292 -16.728 1.463 1.00 0.00 H new ATOM 0 HB THR A 15 -22.132 -17.826 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.467 -16.259 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.896 -17.339 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 15 -23.604 -17.470 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 15 -22.880 -15.869 -1.173 1.00 0.00 H new ATOM 237 N ASN A 16 -22.828 -14.982 3.631 1.00 0.00 N ATOM 238 CA ASN A 16 -22.355 -14.771 5.028 1.00 0.00 C ATOM 239 C ASN A 16 -21.136 -15.639 5.371 1.00 0.00 C ATOM 240 O ASN A 16 -20.975 -16.135 6.485 1.00 0.00 O ATOM 241 CB ASN A 16 -23.525 -15.006 5.977 1.00 0.00 C ATOM 242 CG ASN A 16 -23.694 -13.810 6.909 1.00 0.00 C ATOM 243 OD1 ASN A 16 -22.833 -13.414 7.683 1.00 0.00 O ATOM 244 ND2 ASN A 16 -24.853 -13.211 6.813 1.00 0.00 N ATOM 0 H ASN A 16 -23.029 -14.106 3.149 1.00 0.00 H new ATOM 0 HA ASN A 16 -22.008 -13.744 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.440 -15.164 5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.353 -15.910 6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -25.055 -12.395 7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -25.555 -13.560 6.160 1.00 0.00 H new ATOM 251 N LYS A 17 -20.338 -15.893 4.348 1.00 0.00 N ATOM 252 CA LYS A 17 -19.191 -16.809 4.445 1.00 0.00 C ATOM 253 C LYS A 17 -17.958 -16.184 3.796 1.00 0.00 C ATOM 254 O LYS A 17 -18.057 -15.329 2.926 1.00 0.00 O ATOM 255 CB LYS A 17 -19.510 -18.167 3.809 1.00 0.00 C ATOM 256 CG LYS A 17 -19.377 -19.270 4.864 1.00 0.00 C ATOM 257 CD LYS A 17 -18.866 -20.570 4.249 1.00 0.00 C ATOM 258 CE LYS A 17 -19.897 -21.695 4.312 1.00 0.00 C ATOM 259 NZ LYS A 17 -19.396 -22.869 3.586 1.00 0.00 N ATOM 0 H LYS A 17 -20.458 -15.476 3.425 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.981 -16.979 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.520 -18.160 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.831 -18.360 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.695 -18.944 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.345 -19.444 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.591 -20.392 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.961 -20.882 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.100 -21.957 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.839 -21.362 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.101 -23.632 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.224 -22.615 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.508 -23.192 4.019 1.00 0.00 H new ATOM 273 N TYR A 18 -16.816 -16.720 4.217 1.00 0.00 N ATOM 274 CA TYR A 18 -15.503 -16.265 3.755 1.00 0.00 C ATOM 275 C TYR A 18 -15.031 -17.038 2.531 1.00 0.00 C ATOM 276 O TYR A 18 -14.961 -18.264 2.546 1.00 0.00 O ATOM 277 CB TYR A 18 -14.487 -16.418 4.883 1.00 0.00 C ATOM 278 CG TYR A 18 -14.045 -15.080 5.465 1.00 0.00 C ATOM 279 CD1 TYR A 18 -13.375 -14.163 4.635 1.00 0.00 C ATOM 280 CD2 TYR A 18 -14.210 -14.808 6.843 1.00 0.00 C ATOM 281 CE1 TYR A 18 -12.858 -12.966 5.156 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.704 -13.602 7.373 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.029 -12.697 6.518 1.00 0.00 C ATOM 284 OH TYR A 18 -12.564 -11.513 6.988 1.00 0.00 O ATOM 0 H TYR A 18 -16.772 -17.485 4.890 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.593 -15.217 3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -14.920 -17.029 5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.614 -16.953 4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.257 -14.382 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.717 -15.515 7.482 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.338 -12.267 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.830 -13.371 8.421 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.746 -11.448 7.949 1.00 0.00 H new ATOM 294 N GLU A 19 -14.827 -16.298 1.449 1.00 0.00 N ATOM 295 CA GLU A 19 -14.413 -16.904 0.163 1.00 0.00 C ATOM 296 C GLU A 19 -13.036 -16.362 -0.217 1.00 0.00 C ATOM 297 O GLU A 19 -12.743 -15.189 0.009 1.00 0.00 O ATOM 298 CB GLU A 19 -15.395 -16.578 -0.971 1.00 0.00 C ATOM 299 CG GLU A 19 -16.831 -16.344 -0.479 1.00 0.00 C ATOM 300 CD GLU A 19 -17.842 -16.179 -1.612 1.00 0.00 C ATOM 301 OE1 GLU A 19 -17.503 -15.519 -2.613 1.00 0.00 O ATOM 302 OE2 GLU A 19 -18.962 -16.692 -1.404 1.00 0.00 O ATOM 0 H GLU A 19 -14.937 -15.284 1.422 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.393 -17.986 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.049 -15.689 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.393 -17.396 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.133 -17.183 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.851 -15.453 0.149 1.00 0.00 H new ATOM 309 N THR A 20 -12.269 -17.216 -0.872 1.00 0.00 N ATOM 310 CA THR A 20 -10.886 -16.879 -1.263 1.00 0.00 C ATOM 311 C THR A 20 -10.829 -16.569 -2.755 1.00 0.00 C ATOM 312 O THR A 20 -10.629 -17.440 -3.608 1.00 0.00 O ATOM 313 CB THR A 20 -9.938 -18.012 -0.859 1.00 0.00 C ATOM 314 OG1 THR A 20 -10.192 -18.305 0.515 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.467 -17.633 -1.021 1.00 0.00 C ATOM 0 H THR A 20 -12.568 -18.151 -1.150 1.00 0.00 H new ATOM 0 HA THR A 20 -10.557 -15.983 -0.736 1.00 0.00 H new ATOM 0 HB THR A 20 -10.120 -18.869 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.602 -19.030 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.840 -18.472 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.268 -17.386 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.243 -16.770 -0.394 1.00 0.00 H new ATOM 323 N LYS A 21 -11.166 -15.327 -3.038 1.00 0.00 N ATOM 324 CA LYS A 21 -11.189 -14.805 -4.425 1.00 0.00 C ATOM 325 C LYS A 21 -9.754 -14.590 -4.914 1.00 0.00 C ATOM 326 O LYS A 21 -8.803 -14.564 -4.134 1.00 0.00 O ATOM 327 CB LYS A 21 -11.999 -13.498 -4.464 1.00 0.00 C ATOM 328 CG LYS A 21 -13.393 -13.703 -3.861 1.00 0.00 C ATOM 329 CD LYS A 21 -13.701 -12.545 -2.913 1.00 0.00 C ATOM 330 CE LYS A 21 -14.326 -11.367 -3.661 1.00 0.00 C ATOM 331 NZ LYS A 21 -15.776 -11.425 -3.459 1.00 0.00 N ATOM 0 H LYS A 21 -11.433 -14.641 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.669 -15.523 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.470 -12.721 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.091 -13.152 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.142 -13.751 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.435 -14.651 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.380 -12.883 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.784 -12.221 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.926 -10.423 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.086 -11.419 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.228 -10.633 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.143 -12.324 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.988 -11.360 -2.443 1.00 0.00 H new ATOM 345 N ARG A 22 -9.621 -14.476 -6.232 1.00 0.00 N ATOM 346 CA ARG A 22 -8.328 -14.264 -6.891 1.00 0.00 C ATOM 347 C ARG A 22 -8.183 -12.826 -7.391 1.00 0.00 C ATOM 348 O ARG A 22 -8.701 -12.448 -8.445 1.00 0.00 O ATOM 349 CB ARG A 22 -8.133 -15.230 -8.066 1.00 0.00 C ATOM 350 CG ARG A 22 -7.178 -16.341 -7.663 1.00 0.00 C ATOM 351 CD ARG A 22 -6.249 -16.757 -8.797 1.00 0.00 C ATOM 352 NE ARG A 22 -5.062 -17.439 -8.255 1.00 0.00 N ATOM 353 CZ ARG A 22 -4.189 -18.138 -8.981 1.00 0.00 C ATOM 354 NH1 ARG A 22 -4.349 -18.274 -10.289 1.00 0.00 N ATOM 355 NH2 ARG A 22 -3.147 -18.728 -8.417 1.00 0.00 N ATOM 0 H ARG A 22 -10.408 -14.528 -6.879 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.560 -14.457 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.092 -15.653 -8.365 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.738 -14.693 -8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.582 -16.011 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.752 -17.207 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.776 -17.419 -9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.945 -15.880 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.895 -17.372 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.148 -17.841 -10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.673 -18.811 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.001 -18.652 -7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.490 -19.259 -8.989 1.00 0.00 H new ATOM 369 N LEU A 23 -7.517 -12.028 -6.581 1.00 0.00 N ATOM 370 CA LEU A 23 -7.226 -10.625 -6.900 1.00 0.00 C ATOM 371 C LEU A 23 -6.004 -10.511 -7.821 1.00 0.00 C ATOM 372 O LEU A 23 -4.865 -10.582 -7.380 1.00 0.00 O ATOM 373 CB LEU A 23 -7.035 -9.825 -5.616 1.00 0.00 C ATOM 374 CG LEU A 23 -8.178 -8.813 -5.448 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.530 -9.491 -5.171 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.831 -7.892 -4.280 1.00 0.00 C ATOM 0 H LEU A 23 -7.156 -12.326 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.076 -10.206 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.007 -10.499 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.078 -9.303 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.281 -8.258 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.303 -8.730 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.784 -10.149 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.463 -10.076 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.630 -7.163 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.718 -8.483 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.897 -7.371 -4.492 1.00 0.00 H new ATOM 388 N LEU A 24 -6.310 -10.456 -9.107 1.00 0.00 N ATOM 389 CA LEU A 24 -5.291 -10.269 -10.143 1.00 0.00 C ATOM 390 C LEU A 24 -4.996 -8.772 -10.323 1.00 0.00 C ATOM 391 O LEU A 24 -5.884 -7.960 -10.591 1.00 0.00 O ATOM 392 CB LEU A 24 -5.700 -11.048 -11.416 1.00 0.00 C ATOM 393 CG LEU A 24 -5.274 -10.529 -12.794 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.206 -9.431 -13.306 1.00 0.00 C ATOM 395 CD2 LEU A 24 -3.822 -10.068 -12.857 1.00 0.00 C ATOM 0 H LEU A 24 -7.261 -10.538 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.332 -10.698 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.312 -12.062 -11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.788 -11.121 -11.418 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.356 -11.392 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.866 -9.093 -14.285 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.219 -9.823 -13.389 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.198 -8.593 -12.610 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.596 -9.715 -13.863 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.666 -9.258 -12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.165 -10.901 -12.608 1.00 0.00 H new ATOM 407 N TYR A 25 -3.719 -8.480 -10.201 1.00 0.00 N ATOM 408 CA TYR A 25 -3.161 -7.126 -10.380 1.00 0.00 C ATOM 409 C TYR A 25 -2.194 -7.090 -11.560 1.00 0.00 C ATOM 410 O TYR A 25 -1.630 -8.092 -11.991 1.00 0.00 O ATOM 411 CB TYR A 25 -2.447 -6.709 -9.102 1.00 0.00 C ATOM 412 CG TYR A 25 -3.447 -6.249 -8.043 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.216 -7.180 -7.322 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.561 -4.862 -7.850 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.154 -6.700 -6.389 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.455 -4.398 -6.869 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.250 -5.312 -6.153 1.00 0.00 C ATOM 418 OH TYR A 25 -6.090 -4.821 -5.206 1.00 0.00 O ATOM 0 H TYR A 25 -3.013 -9.179 -9.971 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.973 -6.431 -10.590 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.863 -7.545 -8.718 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.745 -5.904 -9.319 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.089 -8.241 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.977 -4.171 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.795 -7.388 -5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.532 -3.340 -6.665 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.857 -3.889 -5.014 1.00 0.00 H new ATOM 428 N ASN A 26 -1.894 -5.869 -11.972 1.00 0.00 N ATOM 429 CA ASN A 26 -0.927 -5.639 -13.039 1.00 0.00 C ATOM 430 C ASN A 26 0.286 -4.921 -12.443 1.00 0.00 C ATOM 431 O ASN A 26 0.203 -3.824 -11.909 1.00 0.00 O ATOM 432 CB ASN A 26 -1.539 -4.775 -14.142 1.00 0.00 C ATOM 433 CG ASN A 26 -1.377 -5.450 -15.498 1.00 0.00 C ATOM 434 OD1 ASN A 26 -2.243 -6.166 -15.980 1.00 0.00 O ATOM 435 ND2 ASN A 26 -0.265 -5.211 -16.150 1.00 0.00 N ATOM 0 H ASN A 26 -2.305 -5.020 -11.585 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.632 -6.594 -13.474 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.596 -4.607 -13.936 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.058 -3.797 -14.156 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.115 -5.624 -17.070 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.450 -4.612 -15.737 1.00 0.00 H new ATOM 442 N GLN A 27 1.442 -5.529 -12.663 1.00 0.00 N ATOM 443 CA GLN A 27 2.724 -4.986 -12.199 1.00 0.00 C ATOM 444 C GLN A 27 2.971 -3.596 -12.784 1.00 0.00 C ATOM 445 O GLN A 27 3.472 -2.729 -12.072 1.00 0.00 O ATOM 446 CB GLN A 27 3.836 -5.909 -12.673 1.00 0.00 C ATOM 447 CG GLN A 27 5.104 -5.676 -11.884 1.00 0.00 C ATOM 448 CD GLN A 27 6.218 -4.900 -12.559 1.00 0.00 C ATOM 449 OE1 GLN A 27 6.053 -3.604 -12.651 1.00 0.00 O flip ATOM 450 NE2 GLN A 27 7.257 -5.424 -12.907 1.00 0.00 N flip ATOM 0 H GLN A 27 1.525 -6.412 -13.167 1.00 0.00 H new ATOM 0 HA GLN A 27 2.703 -4.914 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.522 -6.947 -12.566 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.026 -5.741 -13.733 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.837 -5.151 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.501 -6.648 -11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.370 -6.435 -12.829 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.017 -4.853 -13.277 1.00 0.00 H new ATOM 459 N ASN A 28 2.645 -3.421 -14.061 1.00 0.00 N ATOM 460 CA ASN A 28 2.754 -2.121 -14.741 1.00 0.00 C ATOM 461 C ASN A 28 2.002 -1.039 -13.955 1.00 0.00 C ATOM 462 O ASN A 28 2.632 -0.130 -13.446 1.00 0.00 O ATOM 463 CB ASN A 28 2.157 -2.158 -16.134 1.00 0.00 C ATOM 464 CG ASN A 28 2.703 -1.002 -16.962 1.00 0.00 C ATOM 465 OD1 ASN A 28 2.576 0.170 -16.642 1.00 0.00 O ATOM 466 ND2 ASN A 28 3.364 -1.363 -18.039 1.00 0.00 N ATOM 0 H ASN A 28 2.298 -4.171 -14.659 1.00 0.00 H new ATOM 0 HA ASN A 28 3.819 -1.896 -14.803 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.395 -3.106 -16.616 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.070 -2.094 -16.075 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.790 -0.655 -18.637 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.451 -2.351 -18.277 1.00 0.00 H new ATOM 473 N LYS A 29 0.784 -1.389 -13.573 1.00 0.00 N ATOM 474 CA LYS A 29 -0.057 -0.543 -12.713 1.00 0.00 C ATOM 475 C LYS A 29 0.503 -0.320 -11.330 1.00 0.00 C ATOM 476 O LYS A 29 0.400 0.782 -10.827 1.00 0.00 O ATOM 477 CB LYS A 29 -1.463 -1.116 -12.690 1.00 0.00 C ATOM 478 CG LYS A 29 -2.296 -0.523 -13.815 1.00 0.00 C ATOM 479 CD LYS A 29 -1.784 -0.498 -15.254 1.00 0.00 C ATOM 480 CE LYS A 29 -1.250 0.898 -15.579 1.00 0.00 C ATOM 481 NZ LYS A 29 -1.355 1.096 -17.023 1.00 0.00 N ATOM 0 H LYS A 29 0.342 -2.267 -13.846 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.078 0.458 -13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.422 -2.200 -12.792 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.933 -0.904 -11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.245 -1.060 -13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.516 0.508 -13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.996 -1.240 -15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.587 -0.761 -15.942 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.822 1.658 -15.047 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.214 0.995 -15.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.997 2.041 -17.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.792 0.373 -17.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.351 1.016 -17.313 1.00 0.00 H new ATOM 495 N ALA A 30 1.374 -1.218 -10.904 1.00 0.00 N ATOM 496 CA ALA A 30 2.090 -1.108 -9.627 1.00 0.00 C ATOM 497 C ALA A 30 3.345 -0.231 -9.764 1.00 0.00 C ATOM 498 O ALA A 30 3.363 0.888 -9.245 1.00 0.00 O ATOM 499 CB ALA A 30 2.431 -2.531 -9.175 1.00 0.00 C ATOM 0 H ALA A 30 1.613 -2.056 -11.434 1.00 0.00 H new ATOM 0 HA ALA A 30 1.468 -0.619 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.966 -2.493 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.512 -3.103 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.059 -3.011 -9.926 1.00 0.00 H new ATOM 505 N GLU A 31 4.321 -0.661 -10.570 1.00 0.00 N ATOM 506 CA GLU A 31 5.532 0.123 -10.886 1.00 0.00 C ATOM 507 C GLU A 31 5.185 1.552 -11.350 1.00 0.00 C ATOM 508 O GLU A 31 5.865 2.485 -10.995 1.00 0.00 O ATOM 509 CB GLU A 31 6.424 -0.537 -11.947 1.00 0.00 C ATOM 510 CG GLU A 31 5.777 -0.590 -13.335 1.00 0.00 C ATOM 511 CD GLU A 31 6.594 0.131 -14.384 1.00 0.00 C ATOM 512 OE1 GLU A 31 7.543 -0.526 -14.876 1.00 0.00 O ATOM 513 OE2 GLU A 31 6.243 1.290 -14.701 1.00 0.00 O ATOM 0 H GLU A 31 4.298 -1.572 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 31 6.090 0.164 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.364 0.010 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.667 -1.551 -11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.648 -1.631 -13.632 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.783 -0.146 -13.286 1.00 0.00 H new ATOM 520 N SER A 32 4.029 1.715 -11.975 1.00 0.00 N ATOM 521 CA SER A 32 3.541 3.022 -12.431 1.00 0.00 C ATOM 522 C SER A 32 2.817 3.784 -11.315 1.00 0.00 C ATOM 523 O SER A 32 3.220 4.887 -10.994 1.00 0.00 O ATOM 524 CB SER A 32 2.594 2.871 -13.621 1.00 0.00 C ATOM 525 OG SER A 32 2.352 4.146 -14.205 1.00 0.00 O ATOM 0 H SER A 32 3.394 0.945 -12.185 1.00 0.00 H new ATOM 0 HA SER A 32 4.420 3.592 -12.732 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.028 2.198 -14.360 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.654 2.425 -13.296 1.00 0.00 H new ATOM 0 HG SER A 32 1.746 4.046 -14.969 1.00 0.00 H new ATOM 531 N ASN A 33 1.879 3.125 -10.623 1.00 0.00 N ATOM 532 CA ASN A 33 1.199 3.720 -9.441 1.00 0.00 C ATOM 533 C ASN A 33 2.185 4.229 -8.386 1.00 0.00 C ATOM 534 O ASN A 33 1.995 5.288 -7.799 1.00 0.00 O ATOM 535 CB ASN A 33 0.263 2.735 -8.733 1.00 0.00 C ATOM 536 CG ASN A 33 -1.099 2.605 -9.415 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.317 2.901 -10.577 1.00 0.00 O ATOM 538 ND2 ASN A 33 -2.064 2.109 -8.656 1.00 0.00 N ATOM 0 H ASN A 33 1.567 2.181 -10.852 1.00 0.00 H new ATOM 0 HA ASN A 33 0.627 4.549 -9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.738 1.755 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.117 3.059 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.998 1.972 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.874 1.864 -7.684 1.00 0.00 H new ATOM 545 N SER A 34 3.266 3.469 -8.243 1.00 0.00 N ATOM 546 CA SER A 34 4.369 3.818 -7.351 1.00 0.00 C ATOM 547 C SER A 34 5.206 4.990 -7.890 1.00 0.00 C ATOM 548 O SER A 34 5.387 5.956 -7.153 1.00 0.00 O ATOM 549 CB SER A 34 5.266 2.611 -7.089 1.00 0.00 C ATOM 550 OG SER A 34 5.925 2.119 -8.246 1.00 0.00 O ATOM 0 H SER A 34 3.403 2.591 -8.743 1.00 0.00 H new ATOM 0 HA SER A 34 3.920 4.137 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.015 2.883 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.664 1.811 -6.658 1.00 0.00 H new ATOM 0 HG SER A 34 5.556 2.555 -9.043 1.00 0.00 H new ATOM 556 N HIS A 35 5.353 5.039 -9.213 1.00 0.00 N ATOM 557 CA HIS A 35 6.040 6.135 -9.928 1.00 0.00 C ATOM 558 C HIS A 35 5.144 7.373 -10.133 1.00 0.00 C ATOM 559 O HIS A 35 5.580 8.386 -10.681 1.00 0.00 O ATOM 560 CB HIS A 35 6.563 5.627 -11.279 1.00 0.00 C ATOM 561 CG HIS A 35 7.678 4.575 -11.186 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.268 4.016 -12.236 1.00 0.00 N ATOM 563 CD2 HIS A 35 8.140 3.943 -10.107 1.00 0.00 C ATOM 564 CE1 HIS A 35 9.062 3.030 -11.829 1.00 0.00 C ATOM 565 NE2 HIS A 35 8.970 2.982 -10.505 1.00 0.00 N ATOM 0 H HIS A 35 4.997 4.313 -9.835 1.00 0.00 H new ATOM 0 HA HIS A 35 6.874 6.454 -9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.729 5.203 -11.839 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.932 6.477 -11.852 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.884 4.172 -9.083 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.666 2.390 -12.455 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.453 2.321 -9.897 1.00 0.00 H new ATOM 574 N HIS A 36 3.925 7.290 -9.603 1.00 0.00 N ATOM 575 CA HIS A 36 2.948 8.390 -9.606 1.00 0.00 C ATOM 576 C HIS A 36 2.703 8.936 -8.194 1.00 0.00 C ATOM 577 O HIS A 36 2.242 10.056 -8.010 1.00 0.00 O ATOM 578 CB HIS A 36 1.652 7.899 -10.265 1.00 0.00 C ATOM 579 CG HIS A 36 1.319 8.696 -11.528 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.346 9.596 -11.632 1.00 0.00 N ATOM 581 CD2 HIS A 36 1.917 8.610 -12.713 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.332 10.066 -12.872 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.305 9.459 -13.544 1.00 0.00 N ATOM 0 H HIS A 36 3.578 6.444 -9.151 1.00 0.00 H new ATOM 0 HA HIS A 36 3.347 9.224 -10.184 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.750 6.843 -10.517 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.829 7.982 -9.555 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.750 7.968 -12.960 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.347 10.808 -13.265 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.543 9.614 -14.524 1.00 0.00 H new ATOM 592 N ALA A 37 3.083 8.125 -7.203 1.00 0.00 N ATOM 593 CA ALA A 37 3.011 8.485 -5.786 1.00 0.00 C ATOM 594 C ALA A 37 4.329 9.107 -5.291 1.00 0.00 C ATOM 595 O ALA A 37 5.397 8.769 -5.804 1.00 0.00 O ATOM 596 CB ALA A 37 2.689 7.229 -4.994 1.00 0.00 C ATOM 0 H ALA A 37 3.454 7.189 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 37 2.233 9.235 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.630 7.473 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.733 6.824 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.472 6.488 -5.153 1.00 0.00 H new ATOM 602 N PRO A 38 4.249 10.039 -4.316 1.00 0.00 N ATOM 603 CA PRO A 38 5.417 10.715 -3.755 1.00 0.00 C ATOM 604 C PRO A 38 6.143 9.748 -2.820 1.00 0.00 C ATOM 605 O PRO A 38 5.550 9.079 -1.985 1.00 0.00 O ATOM 606 CB PRO A 38 4.880 11.931 -2.985 1.00 0.00 C ATOM 607 CG PRO A 38 3.428 11.596 -2.649 1.00 0.00 C ATOM 608 CD PRO A 38 3.034 10.528 -3.657 1.00 0.00 C ATOM 0 HA PRO A 38 6.124 11.034 -4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.461 12.109 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.944 12.836 -3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.333 11.230 -1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.789 12.475 -2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.518 9.708 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.343 10.939 -4.393 1.00 0.00 H new ATOM 616 N LEU A 39 7.435 9.659 -3.052 1.00 0.00 N ATOM 617 CA LEU A 39 8.308 8.792 -2.257 1.00 0.00 C ATOM 618 C LEU A 39 8.561 9.383 -0.866 1.00 0.00 C ATOM 619 O LEU A 39 9.505 10.136 -0.636 1.00 0.00 O ATOM 620 CB LEU A 39 9.591 8.670 -3.059 1.00 0.00 C ATOM 621 CG LEU A 39 9.517 7.591 -4.143 1.00 0.00 C ATOM 622 CD1 LEU A 39 10.670 7.849 -5.115 1.00 0.00 C ATOM 623 CD2 LEU A 39 9.576 6.190 -3.525 1.00 0.00 C ATOM 0 H LEU A 39 7.916 10.176 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 39 7.857 7.816 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.815 9.630 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.416 8.443 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 39 8.569 7.637 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.654 7.099 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.562 8.841 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.617 7.791 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.522 5.441 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.511 6.073 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.737 6.058 -2.842 1.00 0.00 H new ATOM 635 N SER A 40 7.617 9.093 0.019 1.00 0.00 N ATOM 636 CA SER A 40 7.658 9.576 1.413 1.00 0.00 C ATOM 637 C SER A 40 6.716 8.722 2.255 1.00 0.00 C ATOM 638 O SER A 40 5.682 8.285 1.780 1.00 0.00 O ATOM 639 CB SER A 40 7.269 11.065 1.503 1.00 0.00 C ATOM 640 OG SER A 40 5.864 11.235 1.689 1.00 0.00 O ATOM 0 H SER A 40 6.801 8.520 -0.197 1.00 0.00 H new ATOM 0 HA SER A 40 8.676 9.487 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.804 11.531 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.580 11.578 0.593 1.00 0.00 H new ATOM 0 HG SER A 40 5.496 11.755 0.944 1.00 0.00 H new ATOM 646 N ASP A 41 7.071 8.598 3.528 1.00 0.00 N ATOM 647 CA ASP A 41 6.236 7.895 4.517 1.00 0.00 C ATOM 648 C ASP A 41 5.304 8.904 5.185 1.00 0.00 C ATOM 649 O ASP A 41 5.789 9.904 5.716 1.00 0.00 O ATOM 650 CB ASP A 41 7.145 7.245 5.565 1.00 0.00 C ATOM 651 CG ASP A 41 6.408 6.921 6.867 1.00 0.00 C ATOM 652 OD1 ASP A 41 5.413 6.169 6.786 1.00 0.00 O ATOM 653 OD2 ASP A 41 6.829 7.495 7.891 1.00 0.00 O ATOM 0 H ASP A 41 7.938 8.976 3.910 1.00 0.00 H new ATOM 0 HA ASP A 41 5.641 7.123 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.569 6.328 5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.979 7.913 5.781 1.00 0.00 H new ATOM 658 N GLY A 42 4.031 8.520 5.252 1.00 0.00 N ATOM 659 CA GLY A 42 2.972 9.307 5.923 1.00 0.00 C ATOM 660 C GLY A 42 3.172 10.818 5.773 1.00 0.00 C ATOM 661 O GLY A 42 3.677 11.486 6.672 1.00 0.00 O ATOM 0 H GLY A 42 3.692 7.649 4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.002 9.030 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.951 9.051 6.982 1.00 0.00 H new ATOM 665 N LYS A 43 2.996 11.262 4.530 1.00 0.00 N ATOM 666 CA LYS A 43 3.182 12.684 4.181 1.00 0.00 C ATOM 667 C LYS A 43 2.270 13.103 3.030 1.00 0.00 C ATOM 668 O LYS A 43 2.515 14.042 2.266 1.00 0.00 O ATOM 669 CB LYS A 43 4.667 12.938 3.867 1.00 0.00 C ATOM 670 CG LYS A 43 5.125 14.288 4.413 1.00 0.00 C ATOM 671 CD LYS A 43 5.169 15.409 3.377 1.00 0.00 C ATOM 672 CE LYS A 43 6.547 15.483 2.698 1.00 0.00 C ATOM 673 NZ LYS A 43 6.833 16.897 2.405 1.00 0.00 N ATOM 0 H LYS A 43 2.726 10.668 3.746 1.00 0.00 H new ATOM 0 HA LYS A 43 2.897 13.302 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.274 12.143 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.824 12.907 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.457 14.584 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.118 14.172 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.398 15.243 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.946 16.361 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.316 15.065 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.552 14.895 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.762 16.975 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.100 17.276 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.840 17.441 3.291 1.00 0.00 H new ATOM 687 N THR A 44 1.131 12.434 2.992 1.00 0.00 N ATOM 688 CA THR A 44 0.153 12.666 1.920 1.00 0.00 C ATOM 689 C THR A 44 -1.237 12.589 2.534 1.00 0.00 C ATOM 690 O THR A 44 -1.405 12.276 3.710 1.00 0.00 O ATOM 691 CB THR A 44 0.364 11.623 0.817 1.00 0.00 C ATOM 692 OG1 THR A 44 1.718 11.149 0.850 1.00 0.00 O ATOM 693 CG2 THR A 44 0.141 12.212 -0.570 1.00 0.00 C ATOM 0 H THR A 44 0.854 11.732 3.678 1.00 0.00 H new ATOM 0 HA THR A 44 0.275 13.648 1.463 1.00 0.00 H new ATOM 0 HB THR A 44 -0.353 10.822 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.741 10.207 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.300 11.440 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.879 12.588 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.842 13.030 -0.735 1.00 0.00 H new ATOM 701 N GLY A 45 -2.218 12.832 1.672 1.00 0.00 N ATOM 702 CA GLY A 45 -3.621 12.867 2.077 1.00 0.00 C ATOM 703 C GLY A 45 -4.078 11.574 2.749 1.00 0.00 C ATOM 704 O GLY A 45 -4.222 11.492 3.968 1.00 0.00 O ATOM 0 H GLY A 45 -2.066 13.009 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.776 13.701 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.242 13.055 1.201 1.00 0.00 H new ATOM 708 N SER A 46 -4.167 10.537 1.937 1.00 0.00 N ATOM 709 CA SER A 46 -4.512 9.198 2.437 1.00 0.00 C ATOM 710 C SER A 46 -3.458 8.628 3.394 1.00 0.00 C ATOM 711 O SER A 46 -3.639 7.503 3.871 1.00 0.00 O ATOM 712 CB SER A 46 -4.662 8.199 1.299 1.00 0.00 C ATOM 713 OG SER A 46 -3.362 7.881 0.773 1.00 0.00 O ATOM 0 H SER A 46 -4.008 10.585 0.931 1.00 0.00 H new ATOM 0 HA SER A 46 -5.454 9.333 2.968 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.154 7.294 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.293 8.616 0.514 1.00 0.00 H new ATOM 0 HG SER A 46 -2.866 8.709 0.605 1.00 0.00 H new ATOM 719 N SER A 47 -2.318 9.328 3.490 1.00 0.00 N ATOM 720 CA SER A 47 -1.122 8.987 4.314 1.00 0.00 C ATOM 721 C SER A 47 -0.178 8.050 3.550 1.00 0.00 C ATOM 722 O SER A 47 0.923 7.713 3.986 1.00 0.00 O ATOM 723 CB SER A 47 -1.576 8.362 5.643 1.00 0.00 C ATOM 724 OG SER A 47 -0.584 8.400 6.665 1.00 0.00 O ATOM 0 H SER A 47 -2.186 10.196 2.971 1.00 0.00 H new ATOM 0 HA SER A 47 -0.565 9.899 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.466 8.884 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.863 7.325 5.467 1.00 0.00 H new ATOM 0 HG SER A 47 -0.939 7.989 7.481 1.00 0.00 H new ATOM 730 N TYR A 48 -0.575 7.770 2.315 1.00 0.00 N ATOM 731 CA TYR A 48 0.132 6.904 1.374 1.00 0.00 C ATOM 732 C TYR A 48 1.045 7.687 0.425 1.00 0.00 C ATOM 733 O TYR A 48 0.661 8.766 -0.027 1.00 0.00 O ATOM 734 CB TYR A 48 -0.876 6.048 0.606 1.00 0.00 C ATOM 735 CG TYR A 48 -1.511 5.006 1.536 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.770 3.861 1.922 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.865 5.158 1.877 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.440 2.835 2.622 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.520 4.147 2.612 1.00 0.00 C ATOM 740 CZ TYR A 48 -2.793 2.996 2.967 1.00 0.00 C ATOM 741 OH TYR A 48 -3.393 2.028 3.708 1.00 0.00 O ATOM 0 H TYR A 48 -1.434 8.155 1.923 1.00 0.00 H new ATOM 0 HA TYR A 48 0.789 6.251 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.651 6.684 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.379 5.548 -0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.281 3.776 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.403 6.045 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.915 1.930 2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.557 4.254 2.896 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.096 2.428 4.261 1.00 0.00 H new ATOM 751 N PRO A 49 2.166 7.091 0.033 1.00 0.00 N ATOM 752 CA PRO A 49 2.573 5.737 0.424 1.00 0.00 C ATOM 753 C PRO A 49 3.187 5.693 1.820 1.00 0.00 C ATOM 754 O PRO A 49 3.770 6.658 2.292 1.00 0.00 O ATOM 755 CB PRO A 49 3.481 5.291 -0.707 1.00 0.00 C ATOM 756 CG PRO A 49 4.098 6.559 -1.257 1.00 0.00 C ATOM 757 CD PRO A 49 3.069 7.646 -0.999 1.00 0.00 C ATOM 0 HA PRO A 49 1.739 5.045 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.248 4.606 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.918 4.763 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.042 6.785 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.312 6.464 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.545 8.564 -0.653 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.522 7.894 -1.909 1.00 0.00 H new ATOM 765 N HIS A 50 2.672 4.736 2.581 1.00 0.00 N ATOM 766 CA HIS A 50 3.129 4.602 3.966 1.00 0.00 C ATOM 767 C HIS A 50 4.266 3.592 4.004 1.00 0.00 C ATOM 768 O HIS A 50 4.272 2.574 3.288 1.00 0.00 O ATOM 769 CB HIS A 50 1.956 4.226 4.889 1.00 0.00 C ATOM 770 CG HIS A 50 1.570 2.749 4.874 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.326 2.018 5.952 1.00 0.00 N ATOM 772 CD2 HIS A 50 1.340 1.978 3.824 1.00 0.00 C ATOM 773 CE1 HIS A 50 0.919 0.815 5.583 1.00 0.00 C ATOM 774 NE2 HIS A 50 0.917 0.804 4.253 1.00 0.00 N ATOM 0 H HIS A 50 1.965 4.063 2.283 1.00 0.00 H new ATOM 0 HA HIS A 50 3.509 5.553 4.340 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.212 4.509 5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.085 4.816 4.604 1.00 0.00 H new ATOM 0 HD1 HIS A 50 1.435 2.334 6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.475 2.261 2.791 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.642 -0.000 6.235 1.00 0.00 H new ATOM 783 N TRP A 51 5.276 3.939 4.782 1.00 0.00 N ATOM 784 CA TRP A 51 6.415 3.036 5.007 1.00 0.00 C ATOM 785 C TRP A 51 5.905 1.671 5.481 1.00 0.00 C ATOM 786 O TRP A 51 5.036 1.563 6.347 1.00 0.00 O ATOM 787 CB TRP A 51 7.389 3.632 6.017 1.00 0.00 C ATOM 788 CG TRP A 51 8.365 2.613 6.634 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.312 1.895 6.028 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.366 2.280 7.973 1.00 0.00 C ATOM 791 NE1 TRP A 51 9.926 1.119 6.919 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.385 1.324 8.113 1.00 0.00 C ATOM 793 CE3 TRP A 51 7.650 2.756 9.087 1.00 0.00 C ATOM 794 CZ2 TRP A 51 9.688 0.826 9.383 1.00 0.00 C ATOM 795 CZ3 TRP A 51 7.990 2.280 10.370 1.00 0.00 C ATOM 796 CH2 TRP A 51 9.005 1.320 10.519 1.00 0.00 C ATOM 0 H TRP A 51 5.341 4.832 5.271 1.00 0.00 H new ATOM 0 HA TRP A 51 6.952 2.905 4.068 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.964 4.419 5.529 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.820 4.104 6.818 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.545 1.937 4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.688 0.472 6.717 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.853 3.474 8.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.444 0.063 9.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.470 2.654 11.239 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.264 0.958 11.503 1.00 0.00 H new ATOM 807 N PHE A 52 6.458 0.667 4.825 1.00 0.00 N ATOM 808 CA PHE A 52 6.116 -0.715 5.117 1.00 0.00 C ATOM 809 C PHE A 52 7.252 -1.295 5.958 1.00 0.00 C ATOM 810 O PHE A 52 8.246 -1.797 5.447 1.00 0.00 O ATOM 811 CB PHE A 52 5.981 -1.479 3.801 1.00 0.00 C ATOM 812 CG PHE A 52 5.579 -2.938 4.038 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.535 -3.249 4.939 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.248 -3.950 3.330 1.00 0.00 C ATOM 815 CE1 PHE A 52 4.115 -4.583 5.119 1.00 0.00 C ATOM 816 CE2 PHE A 52 5.856 -5.292 3.519 1.00 0.00 C ATOM 817 CZ PHE A 52 4.807 -5.588 4.411 1.00 0.00 C ATOM 0 H PHE A 52 7.149 0.783 4.083 1.00 0.00 H new ATOM 0 HA PHE A 52 5.173 -0.790 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.236 -0.993 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.927 -1.444 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.055 -2.457 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.051 -3.704 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.293 -4.827 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.356 -6.086 2.984 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.523 -6.619 4.558 1.00 0.00 H new ATOM 827 N THR A 53 7.004 -1.230 7.261 1.00 0.00 N ATOM 828 CA THR A 53 7.881 -1.833 8.287 1.00 0.00 C ATOM 829 C THR A 53 8.385 -3.197 7.855 1.00 0.00 C ATOM 830 O THR A 53 9.543 -3.536 8.063 1.00 0.00 O ATOM 831 CB THR A 53 7.147 -1.958 9.636 1.00 0.00 C ATOM 832 OG1 THR A 53 6.126 -2.943 9.544 1.00 0.00 O ATOM 833 CG2 THR A 53 6.424 -0.699 10.093 1.00 0.00 C ATOM 0 H THR A 53 6.187 -0.758 7.649 1.00 0.00 H new ATOM 0 HA THR A 53 8.737 -1.169 8.407 1.00 0.00 H new ATOM 0 HB THR A 53 7.940 -2.196 10.344 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.665 -3.018 10.406 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.938 -0.886 11.051 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.142 0.114 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.673 -0.422 9.353 1.00 0.00 H new ATOM 841 N ASN A 54 7.512 -3.930 7.156 1.00 0.00 N ATOM 842 CA ASN A 54 7.760 -5.283 6.645 1.00 0.00 C ATOM 843 C ASN A 54 8.139 -6.237 7.794 1.00 0.00 C ATOM 844 O ASN A 54 8.840 -7.225 7.615 1.00 0.00 O ATOM 845 CB ASN A 54 8.849 -5.217 5.554 1.00 0.00 C ATOM 846 CG ASN A 54 8.890 -6.471 4.681 1.00 0.00 C ATOM 847 OD1 ASN A 54 7.952 -7.262 4.590 1.00 0.00 O ATOM 848 ND2 ASN A 54 9.996 -6.660 4.006 1.00 0.00 N ATOM 0 H ASN A 54 6.581 -3.586 6.922 1.00 0.00 H new ATOM 0 HA ASN A 54 6.851 -5.684 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.672 -4.346 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.821 -5.076 6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.088 -7.471 3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.765 -5.996 4.091 1.00 0.00 H new ATOM 855 N GLY A 55 7.739 -5.802 8.981 1.00 0.00 N ATOM 856 CA GLY A 55 8.058 -6.466 10.248 1.00 0.00 C ATOM 857 C GLY A 55 9.160 -5.717 11.000 1.00 0.00 C ATOM 858 O GLY A 55 9.177 -5.783 12.218 1.00 0.00 O ATOM 0 H GLY A 55 7.173 -4.962 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.163 -6.522 10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.377 -7.490 10.055 1.00 0.00 H new ATOM 862 N TYR A 56 10.105 -5.094 10.287 1.00 0.00 N ATOM 863 CA TYR A 56 11.195 -4.278 10.883 1.00 0.00 C ATOM 864 C TYR A 56 10.645 -3.214 11.837 1.00 0.00 C ATOM 865 O TYR A 56 9.462 -2.876 11.825 1.00 0.00 O ATOM 866 CB TYR A 56 12.057 -3.636 9.794 1.00 0.00 C ATOM 867 CG TYR A 56 12.793 -4.682 8.955 1.00 0.00 C ATOM 868 CD1 TYR A 56 12.165 -5.280 7.839 1.00 0.00 C ATOM 869 CD2 TYR A 56 14.127 -4.969 9.308 1.00 0.00 C ATOM 870 CE1 TYR A 56 12.892 -6.193 7.053 1.00 0.00 C ATOM 871 CE2 TYR A 56 14.854 -5.881 8.522 1.00 0.00 C ATOM 872 CZ TYR A 56 14.224 -6.474 7.418 1.00 0.00 C ATOM 873 OH TYR A 56 14.967 -7.355 6.708 1.00 0.00 O ATOM 0 H TYR A 56 10.144 -5.136 9.269 1.00 0.00 H new ATOM 0 HA TYR A 56 11.825 -4.951 11.466 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.427 -3.028 9.145 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.782 -2.965 10.254 1.00 0.00 H new ATOM 0 HD1 TYR A 56 11.141 -5.040 7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.582 -4.497 10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.441 -6.666 6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 56 15.879 -6.120 8.764 1.00 0.00 H new ATOM 0 HH TYR A 56 15.066 -7.032 5.788 1.00 0.00 H new ATOM 883 N ASP A 57 11.531 -2.705 12.672 1.00 0.00 N ATOM 884 CA ASP A 57 11.200 -1.593 13.582 1.00 0.00 C ATOM 885 C ASP A 57 11.303 -0.236 12.873 1.00 0.00 C ATOM 886 O ASP A 57 10.787 0.767 13.360 1.00 0.00 O ATOM 887 CB ASP A 57 12.117 -1.638 14.806 1.00 0.00 C ATOM 888 CG ASP A 57 11.351 -1.930 16.095 1.00 0.00 C ATOM 889 OD1 ASP A 57 10.865 -3.068 16.230 1.00 0.00 O ATOM 890 OD2 ASP A 57 11.339 -1.016 16.956 1.00 0.00 O ATOM 0 H ASP A 57 12.493 -3.036 12.749 1.00 0.00 H new ATOM 0 HA ASP A 57 10.166 -1.710 13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.879 -2.403 14.658 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.637 -0.685 14.903 1.00 0.00 H new ATOM 895 N GLY A 58 12.041 -0.247 11.767 1.00 0.00 N ATOM 896 CA GLY A 58 12.369 0.930 10.950 1.00 0.00 C ATOM 897 C GLY A 58 13.596 1.690 11.417 1.00 0.00 C ATOM 898 O GLY A 58 13.719 2.889 11.205 1.00 0.00 O ATOM 0 H GLY A 58 12.445 -1.107 11.396 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.524 0.611 9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.515 1.607 10.949 1.00 0.00 H new ATOM 1029 N THR A 67 8.698 -11.492 10.974 1.00 0.00 N ATOM 1030 CA THR A 67 7.985 -12.101 9.838 1.00 0.00 C ATOM 1031 C THR A 67 8.068 -11.251 8.542 1.00 0.00 C ATOM 1032 O THR A 67 7.064 -10.781 8.012 1.00 0.00 O ATOM 1033 CB THR A 67 6.554 -12.486 10.259 1.00 0.00 C ATOM 1034 OG1 THR A 67 6.044 -13.377 9.269 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.604 -11.307 10.504 1.00 0.00 C ATOM 0 HA THR A 67 8.494 -13.026 9.566 1.00 0.00 H new ATOM 0 HB THR A 67 6.612 -12.963 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.132 -13.644 9.508 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.624 -11.684 10.795 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.002 -10.678 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.510 -10.719 9.591 1.00 0.00 H new ATOM 1043 N PRO A 68 9.295 -10.990 8.054 1.00 0.00 N ATOM 1044 CA PRO A 68 9.480 -10.141 6.875 1.00 0.00 C ATOM 1045 C PRO A 68 9.064 -10.916 5.623 1.00 0.00 C ATOM 1046 O PRO A 68 9.453 -12.065 5.430 1.00 0.00 O ATOM 1047 CB PRO A 68 10.955 -9.751 6.868 1.00 0.00 C ATOM 1048 CG PRO A 68 11.675 -10.825 7.694 1.00 0.00 C ATOM 1049 CD PRO A 68 10.597 -11.520 8.528 1.00 0.00 C ATOM 0 HA PRO A 68 8.864 -9.242 6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.345 -9.713 5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.100 -8.762 7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.184 -11.538 7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.435 -10.378 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.645 -12.602 8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.736 -11.317 9.590 1.00 0.00 H new ATOM 1057 N ILE A 69 8.219 -10.266 4.835 1.00 0.00 N ATOM 1058 CA ILE A 69 7.762 -10.849 3.561 1.00 0.00 C ATOM 1059 C ILE A 69 8.989 -11.074 2.664 1.00 0.00 C ATOM 1060 O ILE A 69 9.704 -10.147 2.284 1.00 0.00 O ATOM 1061 CB ILE A 69 6.661 -9.998 2.897 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.393 -10.072 3.765 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.416 -10.448 1.455 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.155 -9.355 3.212 1.00 0.00 C ATOM 0 H ILE A 69 7.834 -9.345 5.043 1.00 0.00 H new ATOM 0 HA ILE A 69 7.287 -11.813 3.742 1.00 0.00 H new ATOM 0 HB ILE A 69 6.976 -8.956 2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.142 -11.122 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.623 -9.654 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.635 -9.832 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.335 -10.341 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.103 -11.492 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.324 -9.475 3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.374 -8.294 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.886 -9.785 2.247 1.00 0.00 H new ATOM 1076 N LYS A 70 9.198 -12.347 2.369 1.00 0.00 N ATOM 1077 CA LYS A 70 10.292 -12.774 1.480 1.00 0.00 C ATOM 1078 C LYS A 70 9.856 -12.665 0.015 1.00 0.00 C ATOM 1079 O LYS A 70 9.177 -13.518 -0.555 1.00 0.00 O ATOM 1080 CB LYS A 70 10.822 -14.166 1.834 1.00 0.00 C ATOM 1081 CG LYS A 70 9.753 -15.271 1.863 1.00 0.00 C ATOM 1082 CD LYS A 70 10.145 -16.409 0.915 1.00 0.00 C ATOM 1083 CE LYS A 70 9.295 -17.635 1.222 1.00 0.00 C ATOM 1084 NZ LYS A 70 9.602 -18.709 0.257 1.00 0.00 N ATOM 0 H LYS A 70 8.628 -13.113 2.728 1.00 0.00 H new ATOM 0 HA LYS A 70 11.133 -12.097 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.591 -14.442 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.304 -14.119 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.643 -15.654 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.787 -14.860 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.000 -16.101 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.202 -16.647 1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.490 -17.979 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.237 -17.378 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.020 -19.544 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.395 -18.379 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.608 -18.962 0.327 1.00 0.00 H new ATOM 1098 N PHE A 71 10.205 -11.530 -0.554 1.00 0.00 N ATOM 1099 CA PHE A 71 9.890 -11.223 -1.965 1.00 0.00 C ATOM 1100 C PHE A 71 10.712 -12.082 -2.942 1.00 0.00 C ATOM 1101 O PHE A 71 10.274 -12.413 -4.041 1.00 0.00 O ATOM 1102 CB PHE A 71 10.148 -9.751 -2.252 1.00 0.00 C ATOM 1103 CG PHE A 71 9.268 -8.792 -1.463 1.00 0.00 C ATOM 1104 CD1 PHE A 71 9.598 -8.442 -0.131 1.00 0.00 C ATOM 1105 CD2 PHE A 71 8.090 -8.319 -2.060 1.00 0.00 C ATOM 1106 CE1 PHE A 71 8.707 -7.656 0.629 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.191 -7.563 -1.303 1.00 0.00 C ATOM 1108 CZ PHE A 71 7.495 -7.246 0.040 1.00 0.00 C ATOM 0 H PHE A 71 10.712 -10.789 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 71 8.836 -11.455 -2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.193 -9.529 -2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.999 -9.569 -3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.529 -8.776 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.880 -8.537 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.949 -7.374 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.266 -7.222 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.786 -6.679 0.625 1.00 0.00 H new ATOM 1118 N GLY A 72 11.922 -12.402 -2.485 1.00 0.00 N ATOM 1119 CA GLY A 72 12.914 -13.194 -3.223 1.00 0.00 C ATOM 1120 C GLY A 72 14.122 -12.347 -3.634 1.00 0.00 C ATOM 1121 O GLY A 72 14.913 -12.723 -4.495 1.00 0.00 O ATOM 0 H GLY A 72 12.252 -12.111 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.247 -14.028 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.450 -13.622 -4.112 1.00 0.00 H new ATOM 1125 N LYS A 73 14.282 -11.207 -2.962 1.00 0.00 N ATOM 1126 CA LYS A 73 15.418 -10.308 -3.181 1.00 0.00 C ATOM 1127 C LYS A 73 16.101 -10.029 -1.849 1.00 0.00 C ATOM 1128 O LYS A 73 15.448 -9.810 -0.829 1.00 0.00 O ATOM 1129 CB LYS A 73 14.962 -9.019 -3.870 1.00 0.00 C ATOM 1130 CG LYS A 73 14.441 -9.317 -5.272 1.00 0.00 C ATOM 1131 CD LYS A 73 15.092 -8.409 -6.310 1.00 0.00 C ATOM 1132 CE LYS A 73 15.043 -9.082 -7.693 1.00 0.00 C ATOM 1133 NZ LYS A 73 15.795 -8.265 -8.658 1.00 0.00 N ATOM 0 H LYS A 73 13.629 -10.880 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 73 16.140 -10.784 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.180 -8.541 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.793 -8.316 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.639 -10.359 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.359 -9.184 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.575 -7.450 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.126 -8.205 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.468 -10.084 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.009 -9.192 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.764 -8.717 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.370 -7.318 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.784 -8.182 -8.346 1.00 0.00 H new ATOM 1147 N SER A 74 17.429 -10.004 -1.923 1.00 0.00 N ATOM 1148 CA SER A 74 18.278 -9.722 -0.744 1.00 0.00 C ATOM 1149 C SER A 74 18.345 -8.219 -0.428 1.00 0.00 C ATOM 1150 O SER A 74 18.758 -7.786 0.647 1.00 0.00 O ATOM 1151 CB SER A 74 19.692 -10.276 -0.988 1.00 0.00 C ATOM 1152 OG SER A 74 20.394 -10.314 0.255 1.00 0.00 O ATOM 0 H SER A 74 17.951 -10.174 -2.783 1.00 0.00 H new ATOM 0 HA SER A 74 17.830 -10.214 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.636 -11.275 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.225 -9.649 -1.703 1.00 0.00 H new ATOM 0 HG SER A 74 21.297 -10.667 0.110 1.00 0.00 H new ATOM 1158 N ASP A 75 17.789 -7.430 -1.347 1.00 0.00 N ATOM 1159 CA ASP A 75 17.699 -5.956 -1.240 1.00 0.00 C ATOM 1160 C ASP A 75 16.377 -5.559 -0.581 1.00 0.00 C ATOM 1161 O ASP A 75 16.334 -4.837 0.384 1.00 0.00 O ATOM 1162 CB ASP A 75 17.735 -5.264 -2.611 1.00 0.00 C ATOM 1163 CG ASP A 75 19.083 -5.399 -3.329 1.00 0.00 C ATOM 1164 OD1 ASP A 75 19.524 -6.559 -3.490 1.00 0.00 O ATOM 1165 OD2 ASP A 75 19.549 -4.354 -3.806 1.00 0.00 O ATOM 0 H ASP A 75 17.378 -7.795 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 75 18.560 -5.641 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.952 -5.685 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.506 -4.206 -2.481 1.00 0.00 H new ATOM 1170 N CYS A 76 15.272 -6.090 -1.064 1.00 0.00 N ATOM 1171 CA CYS A 76 13.960 -5.802 -0.437 1.00 0.00 C ATOM 1172 C CYS A 76 13.891 -6.425 0.965 1.00 0.00 C ATOM 1173 O CYS A 76 13.230 -5.911 1.864 1.00 0.00 O ATOM 1174 CB CYS A 76 12.840 -6.380 -1.300 1.00 0.00 C ATOM 1175 SG CYS A 76 13.103 -6.100 -3.089 1.00 0.00 S ATOM 0 H CYS A 76 15.235 -6.713 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 76 13.842 -4.722 -0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.760 -7.451 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.891 -5.933 -1.003 1.00 0.00 H new ATOM 1180 N ASP A 77 14.619 -7.523 1.142 1.00 0.00 N ATOM 1181 CA ASP A 77 14.770 -8.186 2.448 1.00 0.00 C ATOM 1182 C ASP A 77 15.824 -7.491 3.320 1.00 0.00 C ATOM 1183 O ASP A 77 16.119 -7.977 4.407 1.00 0.00 O ATOM 1184 CB ASP A 77 15.169 -9.655 2.254 1.00 0.00 C ATOM 1185 CG ASP A 77 15.165 -10.464 3.553 1.00 0.00 C ATOM 1186 OD1 ASP A 77 14.211 -10.287 4.352 1.00 0.00 O ATOM 1187 OD2 ASP A 77 16.103 -11.280 3.705 1.00 0.00 O ATOM 0 H ASP A 77 15.125 -7.985 0.387 1.00 0.00 H new ATOM 0 HA ASP A 77 13.807 -8.124 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.484 -10.119 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.164 -9.698 1.811 1.00 0.00 H new ATOM 1192 N ARG A 78 16.562 -6.538 2.741 1.00 0.00 N ATOM 1193 CA ARG A 78 17.595 -5.781 3.475 1.00 0.00 C ATOM 1194 C ARG A 78 16.968 -5.020 4.659 1.00 0.00 C ATOM 1195 O ARG A 78 15.774 -4.713 4.619 1.00 0.00 O ATOM 1196 CB ARG A 78 18.307 -4.814 2.509 1.00 0.00 C ATOM 1197 CG ARG A 78 17.738 -3.387 2.426 1.00 0.00 C ATOM 1198 CD ARG A 78 18.341 -2.562 1.291 1.00 0.00 C ATOM 1199 NE ARG A 78 19.717 -2.188 1.648 1.00 0.00 N ATOM 1200 CZ ARG A 78 20.826 -2.900 1.406 1.00 0.00 C ATOM 1201 NH1 ARG A 78 20.787 -4.076 0.800 1.00 0.00 N ATOM 1202 NH2 ARG A 78 21.997 -2.431 1.805 1.00 0.00 N ATOM 0 H ARG A 78 16.466 -6.268 1.762 1.00 0.00 H new ATOM 0 HA ARG A 78 18.331 -6.475 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 78 19.355 -4.747 2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.283 -5.250 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 78 16.658 -3.441 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 78 17.917 -2.876 3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 78 18.336 -3.136 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 78 17.742 -1.669 1.116 1.00 0.00 H new ATOM 0 HE ARG A 78 19.840 -1.297 2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.893 -4.467 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.651 -4.592 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.049 -1.536 2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.848 -2.964 1.626 1.00 0.00 H new ATOM 1216 N PRO A 79 17.819 -4.547 5.592 1.00 0.00 N ATOM 1217 CA PRO A 79 17.353 -3.706 6.704 1.00 0.00 C ATOM 1218 C PRO A 79 17.035 -2.268 6.233 1.00 0.00 C ATOM 1219 O PRO A 79 17.925 -1.552 5.792 1.00 0.00 O ATOM 1220 CB PRO A 79 18.469 -3.783 7.743 1.00 0.00 C ATOM 1221 CG PRO A 79 19.737 -4.107 6.958 1.00 0.00 C ATOM 1222 CD PRO A 79 19.252 -4.886 5.742 1.00 0.00 C ATOM 0 HA PRO A 79 16.410 -4.050 7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.570 -2.840 8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.260 -4.552 8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 79 20.262 -3.199 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 79 20.432 -4.698 7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.815 -4.609 4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 79 19.387 -5.958 5.885 1.00 0.00 H new ATOM 1230 N PRO A 80 15.758 -1.891 6.271 1.00 0.00 N ATOM 1231 CA PRO A 80 15.302 -0.560 5.873 1.00 0.00 C ATOM 1232 C PRO A 80 15.698 0.473 6.939 1.00 0.00 C ATOM 1233 O PRO A 80 15.604 0.222 8.147 1.00 0.00 O ATOM 1234 CB PRO A 80 13.783 -0.683 5.709 1.00 0.00 C ATOM 1235 CG PRO A 80 13.353 -1.868 6.558 1.00 0.00 C ATOM 1236 CD PRO A 80 14.616 -2.722 6.695 1.00 0.00 C ATOM 0 HA PRO A 80 15.758 -0.216 4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.282 0.229 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.517 -0.838 4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.985 -1.545 7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.547 -2.426 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.745 -3.054 7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.543 -3.617 6.078 1.00 0.00 H new ATOM 1244 N LYS A 81 16.091 1.631 6.456 1.00 0.00 N ATOM 1245 CA LYS A 81 16.530 2.716 7.353 1.00 0.00 C ATOM 1246 C LYS A 81 15.570 3.907 7.286 1.00 0.00 C ATOM 1247 O LYS A 81 15.889 4.994 6.791 1.00 0.00 O ATOM 1248 CB LYS A 81 17.987 3.063 7.012 1.00 0.00 C ATOM 1249 CG LYS A 81 18.758 3.391 8.297 1.00 0.00 C ATOM 1250 CD LYS A 81 20.194 2.886 8.161 1.00 0.00 C ATOM 1251 CE LYS A 81 21.088 3.374 9.303 1.00 0.00 C ATOM 1252 NZ LYS A 81 21.260 2.347 10.344 1.00 0.00 N ATOM 0 H LYS A 81 16.121 1.859 5.462 1.00 0.00 H new ATOM 0 HA LYS A 81 16.502 2.397 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.459 2.226 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 81 18.018 3.914 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.753 4.466 8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 81 18.275 2.924 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 81 20.194 1.796 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.607 3.221 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 81 22.063 3.655 8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 81 20.654 4.270 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 21.872 2.717 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 20.332 2.097 10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.698 1.500 9.928 1.00 0.00 H new ATOM 1266 N HIS A 82 14.393 3.665 7.838 1.00 0.00 N ATOM 1267 CA HIS A 82 13.316 4.683 7.889 1.00 0.00 C ATOM 1268 C HIS A 82 13.619 5.724 8.973 1.00 0.00 C ATOM 1269 O HIS A 82 13.989 5.408 10.095 1.00 0.00 O ATOM 1270 CB HIS A 82 11.979 3.968 8.090 1.00 0.00 C ATOM 1271 CG HIS A 82 10.825 4.913 8.449 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.510 5.290 9.690 1.00 0.00 N ATOM 1273 CD2 HIS A 82 9.989 5.521 7.628 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.494 6.136 9.629 1.00 0.00 C ATOM 1275 NE2 HIS A 82 9.193 6.294 8.358 1.00 0.00 N ATOM 0 H HIS A 82 14.142 2.773 8.264 1.00 0.00 H new ATOM 0 HA HIS A 82 13.258 5.237 6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.725 3.428 7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.089 3.225 8.880 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.958 5.410 6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.003 6.609 10.467 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.467 6.910 7.993 1.00 0.00 H new ATOM 1284 N SER A 83 13.521 6.988 8.566 1.00 0.00 N ATOM 1285 CA SER A 83 13.787 8.131 9.473 1.00 0.00 C ATOM 1286 C SER A 83 12.478 8.628 10.125 1.00 0.00 C ATOM 1287 O SER A 83 11.582 7.853 10.370 1.00 0.00 O ATOM 1288 CB SER A 83 14.536 9.243 8.722 1.00 0.00 C ATOM 1289 OG SER A 83 13.668 10.071 7.939 1.00 0.00 O ATOM 0 H SER A 83 13.261 7.259 7.618 1.00 0.00 H new ATOM 0 HA SER A 83 14.434 7.802 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.070 9.864 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.285 8.793 8.071 1.00 0.00 H new ATOM 0 HG SER A 83 14.196 10.761 7.485 1.00 0.00 H new ATOM 1295 N LYS A 84 12.378 9.918 10.441 1.00 0.00 N ATOM 1296 CA LYS A 84 11.144 10.528 10.948 1.00 0.00 C ATOM 1297 C LYS A 84 9.994 10.491 9.934 1.00 0.00 C ATOM 1298 O LYS A 84 9.142 9.612 9.991 1.00 0.00 O ATOM 1299 CB LYS A 84 11.431 11.969 11.401 1.00 0.00 C ATOM 1300 CG LYS A 84 11.632 12.012 12.915 1.00 0.00 C ATOM 1301 CD LYS A 84 13.034 11.618 13.389 1.00 0.00 C ATOM 1302 CE LYS A 84 13.957 12.843 13.472 1.00 0.00 C ATOM 1303 NZ LYS A 84 14.669 13.092 12.202 1.00 0.00 N ATOM 0 H LYS A 84 13.153 10.575 10.353 1.00 0.00 H new ATOM 0 HA LYS A 84 10.812 9.934 11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.321 12.347 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.604 12.619 11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.415 13.020 13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.906 11.347 13.383 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.969 11.141 14.367 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.460 10.884 12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.369 13.722 13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.684 12.695 14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.476 13.725 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.014 12.190 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.020 13.536 11.521 1.00 0.00 H new ATOM 1317 N ASP A 85 10.101 11.341 8.915 1.00 0.00 N ATOM 1318 CA ASP A 85 9.124 11.392 7.804 1.00 0.00 C ATOM 1319 C ASP A 85 9.294 10.181 6.856 1.00 0.00 C ATOM 1320 O ASP A 85 8.581 10.023 5.875 1.00 0.00 O ATOM 1321 CB ASP A 85 9.272 12.676 6.964 1.00 0.00 C ATOM 1322 CG ASP A 85 9.851 13.873 7.721 1.00 0.00 C ATOM 1323 OD1 ASP A 85 11.097 13.953 7.710 1.00 0.00 O ATOM 1324 OD2 ASP A 85 9.087 14.568 8.415 1.00 0.00 O ATOM 0 H ASP A 85 10.861 12.016 8.826 1.00 0.00 H new ATOM 0 HA ASP A 85 8.138 11.374 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.911 12.462 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.293 12.951 6.571 1.00 0.00 H new ATOM 1329 N GLY A 86 10.386 9.450 7.084 1.00 0.00 N ATOM 1330 CA GLY A 86 10.804 8.295 6.268 1.00 0.00 C ATOM 1331 C GLY A 86 11.108 8.682 4.835 1.00 0.00 C ATOM 1332 O GLY A 86 10.390 8.376 3.893 1.00 0.00 O ATOM 0 H GLY A 86 11.023 9.644 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.688 7.839 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.017 7.541 6.279 1.00 0.00 H new ATOM 1336 N ASN A 87 12.207 9.416 4.761 1.00 0.00 N ATOM 1337 CA ASN A 87 12.733 9.949 3.491 1.00 0.00 C ATOM 1338 C ASN A 87 14.252 10.135 3.585 1.00 0.00 C ATOM 1339 O ASN A 87 14.994 9.713 2.697 1.00 0.00 O ATOM 1340 CB ASN A 87 12.023 11.269 3.146 1.00 0.00 C ATOM 1341 CG ASN A 87 12.411 12.448 4.051 1.00 0.00 C ATOM 1342 OD1 ASN A 87 12.397 12.388 5.268 1.00 0.00 O ATOM 1343 ND2 ASN A 87 13.046 13.414 3.429 1.00 0.00 N ATOM 0 H ASN A 87 12.768 9.666 5.575 1.00 0.00 H new ATOM 0 HA ASN A 87 12.535 9.239 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.248 11.530 2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.946 11.116 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.538 14.129 3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.048 13.449 2.410 1.00 0.00 H new ATOM 1350 N GLY A 88 14.672 10.737 4.699 1.00 0.00 N ATOM 1351 CA GLY A 88 16.061 11.132 4.976 1.00 0.00 C ATOM 1352 C GLY A 88 16.660 11.851 3.757 1.00 0.00 C ATOM 1353 O GLY A 88 15.980 12.567 3.034 1.00 0.00 O ATOM 0 H GLY A 88 14.036 10.972 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.094 11.787 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.656 10.251 5.217 1.00 0.00 H new ATOM 1357 N LYS A 89 17.892 11.460 3.486 1.00 0.00 N ATOM 1358 CA LYS A 89 18.641 11.960 2.307 1.00 0.00 C ATOM 1359 C LYS A 89 18.620 10.959 1.147 1.00 0.00 C ATOM 1360 O LYS A 89 18.538 11.332 -0.019 1.00 0.00 O ATOM 1361 CB LYS A 89 20.089 12.345 2.689 1.00 0.00 C ATOM 1362 CG LYS A 89 20.892 11.277 3.441 1.00 0.00 C ATOM 1363 CD LYS A 89 20.624 11.335 4.951 1.00 0.00 C ATOM 1364 CE LYS A 89 20.979 10.023 5.656 1.00 0.00 C ATOM 1365 NZ LYS A 89 22.385 10.003 6.075 1.00 0.00 N ATOM 0 H LYS A 89 18.412 10.795 4.059 1.00 0.00 H new ATOM 0 HA LYS A 89 18.133 12.860 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.628 12.602 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.055 13.245 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 89 20.631 10.289 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 89 21.956 11.420 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 89 21.203 12.148 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.572 11.564 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.337 9.891 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.785 9.185 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.593 9.101 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 22.997 10.105 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.562 10.789 6.733 1.00 0.00 H new ATOM 1379 N THR A 90 18.681 9.682 1.521 1.00 0.00 N ATOM 1380 CA THR A 90 18.712 8.542 0.591 1.00 0.00 C ATOM 1381 C THR A 90 18.188 7.258 1.270 1.00 0.00 C ATOM 1382 O THR A 90 18.625 6.144 0.973 1.00 0.00 O ATOM 1383 CB THR A 90 20.133 8.352 0.026 1.00 0.00 C ATOM 1384 OG1 THR A 90 20.122 7.296 -0.930 1.00 0.00 O ATOM 1385 CG2 THR A 90 21.209 8.148 1.095 1.00 0.00 C ATOM 0 H THR A 90 18.711 9.399 2.501 1.00 0.00 H new ATOM 0 HA THR A 90 18.046 8.756 -0.245 1.00 0.00 H new ATOM 0 HB THR A 90 20.415 9.285 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.738 6.491 -0.524 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.179 8.022 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.239 9.018 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.976 7.259 1.681 1.00 0.00 H new ATOM 1393 N ASP A 91 17.313 7.432 2.253 1.00 0.00 N ATOM 1394 CA ASP A 91 16.693 6.294 2.961 1.00 0.00 C ATOM 1395 C ASP A 91 16.330 5.187 1.954 1.00 0.00 C ATOM 1396 O ASP A 91 15.846 5.462 0.869 1.00 0.00 O ATOM 1397 CB ASP A 91 15.435 6.759 3.719 1.00 0.00 C ATOM 1398 CG ASP A 91 14.634 5.644 4.397 1.00 0.00 C ATOM 1399 OD1 ASP A 91 15.130 4.498 4.440 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.497 5.944 4.820 1.00 0.00 O ATOM 0 H ASP A 91 17.010 8.347 2.586 1.00 0.00 H new ATOM 0 HA ASP A 91 17.405 5.896 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.734 7.483 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.781 7.281 3.020 1.00 0.00 H new ATOM 1405 N HIS A 92 16.699 3.971 2.294 1.00 0.00 N ATOM 1406 CA HIS A 92 16.396 2.810 1.445 1.00 0.00 C ATOM 1407 C HIS A 92 15.320 1.916 2.097 1.00 0.00 C ATOM 1408 O HIS A 92 15.386 0.681 2.084 1.00 0.00 O ATOM 1409 CB HIS A 92 17.701 2.066 1.121 1.00 0.00 C ATOM 1410 CG HIS A 92 18.452 1.606 2.380 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.469 0.363 2.849 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.227 2.348 3.175 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.257 0.330 3.914 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.718 1.559 4.121 1.00 0.00 N ATOM 0 H HIS A 92 17.209 3.748 3.149 1.00 0.00 H new ATOM 0 HA HIS A 92 15.966 3.138 0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.475 1.199 0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.349 2.717 0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.420 3.405 3.067 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.484 -0.542 4.509 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.341 1.846 4.876 1.00 0.00 H new ATOM 1423 N TYR A 93 14.331 2.576 2.676 1.00 0.00 N ATOM 1424 CA TYR A 93 13.203 1.932 3.355 1.00 0.00 C ATOM 1425 C TYR A 93 12.302 1.241 2.335 1.00 0.00 C ATOM 1426 O TYR A 93 12.226 1.626 1.164 1.00 0.00 O ATOM 1427 CB TYR A 93 12.399 2.944 4.197 1.00 0.00 C ATOM 1428 CG TYR A 93 11.504 3.929 3.444 1.00 0.00 C ATOM 1429 CD1 TYR A 93 11.786 4.329 2.120 1.00 0.00 C ATOM 1430 CD2 TYR A 93 10.281 4.290 4.043 1.00 0.00 C ATOM 1431 CE1 TYR A 93 10.815 5.023 1.382 1.00 0.00 C ATOM 1432 CE2 TYR A 93 9.324 5.009 3.321 1.00 0.00 C ATOM 1433 CZ TYR A 93 9.604 5.367 1.993 1.00 0.00 C ATOM 1434 OH TYR A 93 8.774 6.188 1.317 1.00 0.00 O ATOM 0 H TYR A 93 14.282 3.595 2.691 1.00 0.00 H new ATOM 0 HA TYR A 93 13.602 1.182 4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.774 2.383 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.104 3.520 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.744 4.102 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.082 4.009 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.001 5.289 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.385 5.284 3.777 1.00 0.00 H new ATOM 0 HH TYR A 93 7.967 6.349 1.850 1.00 0.00 H new ATOM 1444 N LEU A 94 11.594 0.245 2.821 1.00 0.00 N ATOM 1445 CA LEU A 94 10.605 -0.428 1.974 1.00 0.00 C ATOM 1446 C LEU A 94 9.215 0.150 2.203 1.00 0.00 C ATOM 1447 O LEU A 94 8.692 0.071 3.307 1.00 0.00 O ATOM 1448 CB LEU A 94 10.591 -1.946 2.220 1.00 0.00 C ATOM 1449 CG LEU A 94 11.237 -2.721 1.063 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.880 -4.190 1.225 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.648 -2.339 -0.287 1.00 0.00 C ATOM 0 H LEU A 94 11.672 -0.117 3.771 1.00 0.00 H new ATOM 0 HA LEU A 94 10.894 -0.255 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.121 -2.168 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.563 -2.283 2.353 1.00 0.00 H new ATOM 0 HG LEU A 94 12.305 -2.506 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.327 -4.765 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.260 -4.554 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.797 -4.306 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.137 -2.914 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.579 -2.554 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.805 -1.275 -0.464 1.00 0.00 H new ATOM 1463 N LEU A 95 8.749 0.915 1.226 1.00 0.00 N ATOM 1464 CA LEU A 95 7.408 1.481 1.334 1.00 0.00 C ATOM 1465 C LEU A 95 6.418 0.613 0.535 1.00 0.00 C ATOM 1466 O LEU A 95 6.765 0.019 -0.489 1.00 0.00 O ATOM 1467 CB LEU A 95 7.413 2.976 0.938 1.00 0.00 C ATOM 1468 CG LEU A 95 7.361 3.252 -0.558 1.00 0.00 C ATOM 1469 CD1 LEU A 95 5.900 3.145 -0.967 1.00 0.00 C ATOM 1470 CD2 LEU A 95 7.777 4.662 -0.944 1.00 0.00 C ATOM 0 H LEU A 95 9.258 1.154 0.375 1.00 0.00 H new ATOM 0 HA LEU A 95 7.067 1.462 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.560 3.463 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.311 3.440 1.346 1.00 0.00 H new ATOM 0 HG LEU A 95 8.041 2.548 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.807 3.335 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.532 2.144 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.313 3.879 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.712 4.777 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.115 5.381 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.803 4.840 -0.621 1.00 0.00 H new ATOM 1482 N GLU A 96 5.166 0.707 0.972 1.00 0.00 N ATOM 1483 CA GLU A 96 4.063 0.064 0.257 1.00 0.00 C ATOM 1484 C GLU A 96 2.923 1.038 -0.059 1.00 0.00 C ATOM 1485 O GLU A 96 2.386 1.749 0.791 1.00 0.00 O ATOM 1486 CB GLU A 96 3.553 -1.125 1.044 1.00 0.00 C ATOM 1487 CG GLU A 96 2.685 -0.792 2.246 1.00 0.00 C ATOM 1488 CD GLU A 96 2.455 -1.980 3.151 1.00 0.00 C ATOM 1489 OE1 GLU A 96 2.564 -3.138 2.677 1.00 0.00 O ATOM 1490 OE2 GLU A 96 2.224 -1.681 4.335 1.00 0.00 O ATOM 0 H GLU A 96 4.889 1.217 1.811 1.00 0.00 H new ATOM 0 HA GLU A 96 4.453 -0.282 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.982 -1.765 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.409 -1.706 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.156 0.008 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.723 -0.413 1.900 1.00 0.00 H new ATOM 1497 N PHE A 97 2.551 0.984 -1.320 1.00 0.00 N ATOM 1498 CA PHE A 97 1.439 1.818 -1.810 1.00 0.00 C ATOM 1499 C PHE A 97 0.193 0.952 -2.069 1.00 0.00 C ATOM 1500 O PHE A 97 0.355 -0.125 -2.652 1.00 0.00 O ATOM 1501 CB PHE A 97 1.935 2.541 -3.075 1.00 0.00 C ATOM 1502 CG PHE A 97 0.864 3.419 -3.738 1.00 0.00 C ATOM 1503 CD1 PHE A 97 -0.142 2.825 -4.531 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.881 4.794 -3.490 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -1.189 3.626 -5.048 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.151 5.589 -4.025 1.00 0.00 C ATOM 1507 CZ PHE A 97 -1.183 5.010 -4.790 1.00 0.00 C ATOM 0 H PHE A 97 2.984 0.387 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 97 1.138 2.559 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.793 3.161 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.283 1.800 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.113 1.766 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.669 5.238 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.981 3.181 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.151 6.654 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.975 5.632 -5.181 1.00 0.00 H new ATOM 1517 N PRO A 98 -1.007 1.471 -1.773 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.284 0.785 -2.030 1.00 0.00 C ATOM 1519 C PRO A 98 -2.617 0.768 -3.526 1.00 0.00 C ATOM 1520 O PRO A 98 -3.213 1.696 -4.081 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.324 1.541 -1.189 1.00 0.00 C ATOM 1522 CG PRO A 98 -2.780 2.963 -1.108 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.257 2.792 -1.159 1.00 0.00 C ATOM 0 HA PRO A 98 -2.254 -0.267 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.308 1.517 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.432 1.099 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.139 3.574 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.094 3.457 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.796 3.587 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.826 2.843 -0.159 1.00 0.00 H new ATOM 1531 N THR A 99 -2.013 -0.202 -4.204 1.00 0.00 N ATOM 1532 CA THR A 99 -2.207 -0.385 -5.647 1.00 0.00 C ATOM 1533 C THR A 99 -3.567 -1.021 -5.937 1.00 0.00 C ATOM 1534 O THR A 99 -4.045 -1.879 -5.193 1.00 0.00 O ATOM 1535 CB THR A 99 -1.065 -1.189 -6.285 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.176 -1.054 -7.708 1.00 0.00 O ATOM 1537 CG2 THR A 99 -1.020 -2.677 -5.899 1.00 0.00 C ATOM 0 H THR A 99 -1.380 -0.880 -3.779 1.00 0.00 H new ATOM 0 HA THR A 99 -2.191 0.604 -6.106 1.00 0.00 H new ATOM 0 HB THR A 99 -0.132 -0.777 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.456 -1.558 -8.142 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.180 -3.158 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.900 -2.769 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.948 -3.160 -6.204 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.190 -0.534 -7.000 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.532 -0.974 -7.422 1.00 0.00 C ATOM 1547 C PHE A 100 -5.476 -1.846 -8.686 1.00 0.00 C ATOM 1548 O PHE A 100 -4.563 -1.647 -9.501 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.424 0.249 -7.620 1.00 0.00 C ATOM 1550 CG PHE A 100 -6.846 0.836 -6.263 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -5.870 1.400 -5.414 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.209 0.856 -5.891 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.256 1.984 -4.193 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.613 1.514 -4.710 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.625 2.070 -3.870 1.00 0.00 C ATOM 0 H PHE A 100 -3.785 0.182 -7.604 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.959 -1.600 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.892 1.004 -8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.309 -0.028 -8.193 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.829 1.384 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.944 0.366 -6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.510 2.363 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.659 1.591 -4.454 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.924 2.571 -2.961 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.439 -2.774 -8.859 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.476 -3.667 -10.036 1.00 0.00 C ATOM 1567 C PRO A 101 -6.959 -2.948 -11.290 1.00 0.00 C ATOM 1568 O PRO A 101 -6.284 -3.028 -12.310 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.398 -4.818 -9.644 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.313 -4.239 -8.563 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.540 -3.089 -7.929 1.00 0.00 C ATOM 0 HA PRO A 101 -5.479 -4.025 -10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.973 -5.173 -10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.830 -5.668 -9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.251 -3.888 -8.993 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.566 -4.995 -7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.184 -2.222 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.154 -3.372 -6.950 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.003 -2.124 -11.130 1.00 0.00 N ATOM 1580 CA ASP A 102 -8.547 -1.253 -12.199 1.00 0.00 C ATOM 1581 C ASP A 102 -7.433 -0.538 -12.963 1.00 0.00 C ATOM 1582 O ASP A 102 -7.547 -0.259 -14.153 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.465 -0.182 -11.608 1.00 0.00 C ATOM 1584 CG ASP A 102 -10.963 -0.412 -11.867 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -11.332 -1.560 -12.200 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.701 0.567 -11.651 1.00 0.00 O ATOM 0 H ASP A 102 -8.505 -2.037 -10.246 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.101 -1.902 -12.878 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.299 -0.133 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.183 0.787 -12.019 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.398 -0.233 -12.199 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.184 0.398 -12.727 1.00 0.00 C ATOM 1593 C GLY A 103 -5.228 1.909 -12.621 1.00 0.00 C ATOM 1594 O GLY A 103 -4.489 2.627 -13.292 1.00 0.00 O ATOM 0 H GLY A 103 -6.368 -0.413 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.317 0.023 -12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.054 0.113 -13.771 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.135 2.338 -11.761 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.280 3.751 -11.458 1.00 0.00 C ATOM 1600 C HIS A 104 -5.320 4.121 -10.326 1.00 0.00 C ATOM 1601 O HIS A 104 -4.894 3.291 -9.516 1.00 0.00 O ATOM 1602 CB HIS A 104 -7.749 4.082 -11.132 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.260 3.441 -9.846 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.134 2.438 -9.773 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.025 3.870 -8.612 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.447 2.263 -8.501 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -8.749 3.136 -7.778 1.00 0.00 N ATOM 0 H HIS A 104 -6.782 1.729 -11.260 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.016 4.354 -12.326 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.858 5.164 -11.055 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.376 3.757 -11.962 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.361 4.675 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.148 1.537 -8.115 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -8.768 3.225 -6.762 1.00 0.00 H new ATOM 1616 N ASP A 105 -5.108 5.412 -10.269 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.240 6.025 -9.257 1.00 0.00 C ATOM 1618 C ASP A 105 -5.111 6.613 -8.165 1.00 0.00 C ATOM 1619 O ASP A 105 -5.472 7.793 -8.214 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.297 7.092 -9.876 1.00 0.00 C ATOM 1621 CG ASP A 105 -3.829 7.732 -11.157 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -3.693 7.066 -12.211 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -4.485 8.795 -11.070 1.00 0.00 O ATOM 0 H ASP A 105 -5.526 6.080 -10.917 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.591 5.261 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.120 7.875 -9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.333 6.629 -10.088 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.559 5.724 -7.281 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.351 6.107 -6.095 1.00 0.00 C ATOM 1630 C TYR A 106 -5.890 7.469 -5.578 1.00 0.00 C ATOM 1631 O TYR A 106 -4.681 7.723 -5.547 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.064 5.081 -5.001 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.424 5.435 -3.558 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.647 6.081 -3.242 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.431 5.202 -2.595 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.842 6.562 -1.933 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.632 5.638 -1.281 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.835 6.313 -0.991 1.00 0.00 C ATOM 1639 OH TYR A 106 -7.035 6.779 0.253 1.00 0.00 O ATOM 0 H TYR A 106 -5.389 4.721 -7.358 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.409 6.148 -6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.593 4.164 -5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.998 4.854 -5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.415 6.202 -3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.519 4.690 -2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.737 7.104 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.891 5.463 -0.515 1.00 0.00 H new ATOM 0 HH TYR A 106 -7.212 7.742 0.217 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.869 8.280 -5.207 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.626 9.593 -4.588 1.00 0.00 C ATOM 1651 C LYS A 107 -5.962 9.414 -3.203 1.00 0.00 C ATOM 1652 O LYS A 107 -6.456 9.789 -2.149 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.938 10.397 -4.534 1.00 0.00 C ATOM 1654 CG LYS A 107 -9.021 9.658 -3.752 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.397 10.275 -3.907 1.00 0.00 C ATOM 1656 CE LYS A 107 -11.392 9.153 -3.631 1.00 0.00 C ATOM 1657 NZ LYS A 107 -12.512 9.686 -2.856 1.00 0.00 N ATOM 0 H LYS A 107 -7.857 8.055 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.928 10.170 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.752 11.366 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.289 10.590 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.056 8.620 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.753 9.646 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.536 11.100 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.533 10.680 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.751 8.730 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.906 8.346 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.195 8.925 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.160 10.070 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.979 10.442 -3.396 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.720 8.967 -3.270 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.864 8.770 -2.103 1.00 0.00 C ATOM 1673 C PHE A 108 -3.473 10.106 -1.442 1.00 0.00 C ATOM 1674 O PHE A 108 -2.795 10.165 -0.419 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.644 7.908 -2.450 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.685 8.628 -3.399 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.876 9.657 -2.882 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.708 8.348 -4.785 1.00 0.00 C ATOM 1679 CE1 PHE A 108 -0.130 10.457 -3.752 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -0.888 9.094 -5.662 1.00 0.00 C ATOM 1681 CZ PHE A 108 -0.111 10.144 -5.130 1.00 0.00 C ATOM 0 H PHE A 108 -4.266 8.725 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.442 8.221 -1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.116 7.642 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.977 6.977 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.832 9.828 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.348 7.569 -5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.425 11.304 -3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.857 8.865 -6.717 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.515 10.724 -5.793 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.738 11.159 -2.194 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.484 12.539 -1.765 1.00 0.00 C ATOM 1693 C ASP A 109 -4.724 13.172 -1.126 1.00 0.00 C ATOM 1694 O ASP A 109 -4.626 14.244 -0.529 1.00 0.00 O ATOM 1695 CB ASP A 109 -3.043 13.358 -2.976 1.00 0.00 C ATOM 1696 CG ASP A 109 -1.782 14.174 -2.682 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -1.859 15.036 -1.776 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -0.760 13.864 -3.322 1.00 0.00 O ATOM 0 H ASP A 109 -4.139 11.089 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.699 12.529 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.856 12.691 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.849 14.029 -3.274 1.00 0.00 H new ATOM 1703 N SER A 110 -5.851 12.461 -1.173 1.00 0.00 N ATOM 1704 CA SER A 110 -7.122 12.945 -0.611 1.00 0.00 C ATOM 1705 C SER A 110 -7.257 12.488 0.841 1.00 0.00 C ATOM 1706 O SER A 110 -7.534 11.314 1.107 1.00 0.00 O ATOM 1707 CB SER A 110 -8.310 12.412 -1.397 1.00 0.00 C ATOM 1708 OG SER A 110 -9.159 13.488 -1.787 1.00 0.00 O ATOM 0 H SER A 110 -5.914 11.536 -1.599 1.00 0.00 H new ATOM 0 HA SER A 110 -7.116 14.033 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.961 11.875 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.868 11.699 -0.790 1.00 0.00 H new ATOM 0 HG SER A 110 -9.920 13.137 -2.294 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.864 13.386 1.733 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.919 13.138 3.179 1.00 0.00 C ATOM 1716 C LYS A 111 -8.328 12.847 3.654 1.00 0.00 C ATOM 1717 O LYS A 111 -8.670 11.713 3.984 1.00 0.00 O ATOM 1718 CB LYS A 111 -6.248 14.291 3.952 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.747 13.836 5.328 1.00 0.00 C ATOM 1720 CD LYS A 111 -4.352 14.375 5.624 1.00 0.00 C ATOM 1721 CE LYS A 111 -4.321 15.200 6.912 1.00 0.00 C ATOM 1722 NZ LYS A 111 -4.705 16.595 6.649 1.00 0.00 N ATOM 0 H LYS A 111 -6.499 14.305 1.483 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.348 12.234 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.412 14.681 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.959 15.108 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.440 14.175 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.733 12.747 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.652 13.544 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.016 14.991 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.999 14.764 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.321 15.169 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.677 17.136 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.042 17.015 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.668 16.622 6.257 1.00 0.00 H new ATOM 1736 N LYS A 112 -9.125 13.904 3.604 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.544 13.823 3.951 1.00 0.00 C ATOM 1738 C LYS A 112 -11.427 14.467 2.855 1.00 0.00 C ATOM 1739 O LYS A 112 -11.169 15.588 2.436 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.783 14.330 5.375 1.00 0.00 C ATOM 1741 CG LYS A 112 -10.783 15.853 5.459 1.00 0.00 C ATOM 1742 CD LYS A 112 -10.040 16.343 6.683 1.00 0.00 C ATOM 1743 CE LYS A 112 -10.334 17.830 6.817 1.00 0.00 C ATOM 1744 NZ LYS A 112 -9.332 18.416 7.708 1.00 0.00 N ATOM 0 H LYS A 112 -8.815 14.835 3.325 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.860 12.780 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.738 13.949 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.010 13.933 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -10.322 16.267 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.810 16.217 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.365 15.804 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.969 16.170 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.303 18.313 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.336 17.985 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.515 19.434 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.384 17.956 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.384 18.274 7.305 1.00 0.00 H new ATOM 1758 N PRO A 113 -12.371 13.671 2.334 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.585 12.255 2.706 1.00 0.00 C ATOM 1760 C PRO A 113 -11.509 11.370 2.055 1.00 0.00 C ATOM 1761 O PRO A 113 -10.579 11.854 1.415 1.00 0.00 O ATOM 1762 CB PRO A 113 -14.008 11.949 2.259 1.00 0.00 C ATOM 1763 CG PRO A 113 -14.282 12.910 1.103 1.00 0.00 C ATOM 1764 CD PRO A 113 -13.363 14.116 1.339 1.00 0.00 C ATOM 0 HA PRO A 113 -12.486 12.056 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -14.106 10.911 1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.717 12.100 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -14.070 12.438 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.329 13.213 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.878 14.426 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.928 14.973 1.705 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.660 10.076 2.292 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.703 9.073 1.810 1.00 0.00 C ATOM 1774 C LYS A 114 -11.388 7.708 1.834 1.00 0.00 C ATOM 1775 O LYS A 114 -11.802 7.207 2.879 1.00 0.00 O ATOM 1776 CB LYS A 114 -9.471 9.102 2.709 1.00 0.00 C ATOM 1777 CG LYS A 114 -8.469 8.001 2.388 1.00 0.00 C ATOM 1778 CD LYS A 114 -8.161 7.165 3.625 1.00 0.00 C ATOM 1779 CE LYS A 114 -7.332 5.935 3.239 1.00 0.00 C ATOM 1780 NZ LYS A 114 -7.238 5.044 4.405 1.00 0.00 N ATOM 0 H LYS A 114 -12.441 9.686 2.819 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.383 9.282 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.981 10.071 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.785 9.007 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.867 7.360 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.549 8.442 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.616 7.766 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.090 6.852 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.797 5.414 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.337 6.237 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.677 4.204 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.778 5.547 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.192 4.749 4.695 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.602 7.198 0.628 1.00 0.00 N ATOM 1795 CA GLU A 115 -12.189 5.862 0.464 1.00 0.00 C ATOM 1796 C GLU A 115 -11.210 4.816 1.016 1.00 0.00 C ATOM 1797 O GLU A 115 -10.004 4.914 0.820 1.00 0.00 O ATOM 1798 CB GLU A 115 -12.507 5.595 -1.018 1.00 0.00 C ATOM 1799 CG GLU A 115 -13.222 4.257 -1.229 1.00 0.00 C ATOM 1800 CD GLU A 115 -12.463 3.367 -2.212 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -12.179 3.865 -3.328 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -12.248 2.188 -1.872 1.00 0.00 O ATOM 0 H GLU A 115 -11.383 7.677 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 115 -13.125 5.800 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -13.130 6.402 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.581 5.604 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.323 3.742 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.230 4.437 -1.602 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.806 3.798 1.638 1.00 0.00 N ATOM 1810 CA ASN A 116 -11.064 2.653 2.209 1.00 0.00 C ATOM 1811 C ASN A 116 -9.980 2.159 1.223 1.00 0.00 C ATOM 1812 O ASN A 116 -10.215 2.170 0.012 1.00 0.00 O ATOM 1813 CB ASN A 116 -12.035 1.510 2.523 1.00 0.00 C ATOM 1814 CG ASN A 116 -11.503 0.676 3.692 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -11.244 1.170 4.787 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.265 -0.599 3.468 1.00 0.00 N ATOM 0 H ASN A 116 -12.816 3.736 1.765 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.577 2.980 3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -13.017 1.914 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -12.163 0.879 1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.864 -1.180 4.204 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.481 -1.006 2.558 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.786 1.851 1.735 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.692 1.389 0.880 1.00 0.00 C ATOM 1825 C PRO A 117 -7.974 -0.020 0.348 1.00 0.00 C ATOM 1826 O PRO A 117 -8.992 -0.642 0.670 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.439 1.480 1.775 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.954 1.371 3.207 1.00 0.00 C ATOM 1829 CD PRO A 117 -8.383 1.907 3.161 1.00 0.00 C ATOM 0 HA PRO A 117 -7.561 1.989 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.736 0.679 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.912 2.421 1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.932 0.339 3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.337 1.952 3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.048 1.304 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.431 2.927 3.542 1.00 0.00 H new ATOM 1837 N GLY A 118 -7.045 -0.478 -0.478 1.00 0.00 N ATOM 1838 CA GLY A 118 -7.088 -1.806 -1.114 1.00 0.00 C ATOM 1839 C GLY A 118 -6.278 -2.846 -0.327 1.00 0.00 C ATOM 1840 O GLY A 118 -5.452 -2.459 0.508 1.00 0.00 O ATOM 0 H GLY A 118 -6.221 0.065 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.124 -2.137 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.698 -1.735 -2.129 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.525 -4.139 -0.572 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.788 -5.226 0.096 1.00 0.00 C ATOM 1846 C PRO A 119 -4.385 -5.359 -0.492 1.00 0.00 C ATOM 1847 O PRO A 119 -3.401 -5.252 0.239 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.657 -6.470 -0.095 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.534 -6.183 -1.310 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.570 -4.669 -1.476 1.00 0.00 C ATOM 0 HA PRO A 119 -5.623 -5.047 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.042 -7.355 -0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -7.265 -6.662 0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.128 -6.661 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.539 -6.580 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.374 -4.384 -2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.551 -4.270 -1.216 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.297 -5.583 -1.797 1.00 0.00 N ATOM 1859 CA ALA A 120 -2.997 -5.625 -2.482 1.00 0.00 C ATOM 1860 C ALA A 120 -2.268 -4.285 -2.436 1.00 0.00 C ATOM 1861 O ALA A 120 -2.863 -3.204 -2.443 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.120 -6.106 -3.925 1.00 0.00 C ATOM 0 H ALA A 120 -5.101 -5.738 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.399 -6.351 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.134 -6.120 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.542 -7.111 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.772 -5.431 -4.479 1.00 0.00 H new ATOM 1868 N ARG A 121 -0.978 -4.439 -2.277 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.068 -3.321 -2.064 1.00 0.00 C ATOM 1870 C ARG A 121 1.245 -3.577 -2.793 1.00 0.00 C ATOM 1871 O ARG A 121 1.840 -4.648 -2.680 1.00 0.00 O ATOM 1872 CB ARG A 121 0.184 -3.179 -0.574 1.00 0.00 C ATOM 1873 CG ARG A 121 -0.102 -1.745 -0.133 1.00 0.00 C ATOM 1874 CD ARG A 121 -0.893 -1.661 1.159 1.00 0.00 C ATOM 1875 NE ARG A 121 -0.226 -2.461 2.193 1.00 0.00 N ATOM 1876 CZ ARG A 121 -0.621 -2.628 3.453 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -1.685 -1.992 3.908 1.00 0.00 N ATOM 1878 NH2 ARG A 121 0.060 -3.416 4.267 1.00 0.00 N ATOM 0 H ARG A 121 -0.517 -5.349 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.508 -2.403 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.450 -3.872 -0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 121 1.217 -3.440 -0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.843 -1.216 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.653 -1.233 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.973 -0.623 1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.908 -2.025 1.001 1.00 0.00 H new ATOM 0 HE ARG A 121 0.631 -2.940 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.209 -1.369 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.983 -2.124 4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.893 -3.900 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.247 -3.540 5.232 1.00 0.00 H new ATOM 1892 N VAL A 122 1.646 -2.551 -3.514 1.00 0.00 N ATOM 1893 CA VAL A 122 2.910 -2.570 -4.265 1.00 0.00 C ATOM 1894 C VAL A 122 4.073 -2.271 -3.306 1.00 0.00 C ATOM 1895 O VAL A 122 4.061 -1.256 -2.606 1.00 0.00 O ATOM 1896 CB VAL A 122 2.859 -1.624 -5.474 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.535 -0.168 -5.124 1.00 0.00 C ATOM 1898 CG2 VAL A 122 4.161 -1.692 -6.283 1.00 0.00 C ATOM 0 H VAL A 122 1.119 -1.682 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 122 3.074 -3.563 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 122 2.027 -1.984 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.519 0.430 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.560 -0.119 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.296 0.222 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.097 -1.012 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.999 -1.402 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.313 -2.710 -6.643 1.00 0.00 H new ATOM 1908 N ILE A 123 5.050 -3.151 -3.355 1.00 0.00 N ATOM 1909 CA ILE A 123 6.244 -2.986 -2.508 1.00 0.00 C ATOM 1910 C ILE A 123 7.447 -2.741 -3.416 1.00 0.00 C ATOM 1911 O ILE A 123 7.581 -3.333 -4.491 1.00 0.00 O ATOM 1912 CB ILE A 123 6.515 -4.240 -1.672 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.244 -4.756 -1.004 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.659 -3.989 -0.669 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.772 -3.905 0.166 1.00 0.00 C ATOM 0 H ILE A 123 5.057 -3.976 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 123 6.076 -2.149 -1.830 1.00 0.00 H new ATOM 0 HB ILE A 123 6.846 -5.034 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.449 -4.806 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.417 -5.774 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.836 -4.892 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.567 -3.724 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.384 -3.173 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.864 -4.337 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.548 -3.875 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.565 -2.893 -0.181 1.00 0.00 H new ATOM 1927 N TYR A 124 8.320 -1.889 -2.896 1.00 0.00 N ATOM 1928 CA TYR A 124 9.479 -1.382 -3.630 1.00 0.00 C ATOM 1929 C TYR A 124 10.296 -0.433 -2.768 1.00 0.00 C ATOM 1930 O TYR A 124 9.766 0.280 -1.902 1.00 0.00 O ATOM 1931 CB TYR A 124 9.009 -0.629 -4.890 1.00 0.00 C ATOM 1932 CG TYR A 124 8.011 0.481 -4.541 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.629 0.211 -4.439 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.525 1.768 -4.337 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.746 1.261 -4.127 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.655 2.830 -4.083 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.270 2.560 -4.005 1.00 0.00 C ATOM 1938 OH TYR A 124 5.436 3.613 -3.797 1.00 0.00 O ATOM 0 H TYR A 124 8.246 -1.525 -1.946 1.00 0.00 H new ATOM 0 HA TYR A 124 10.101 -2.233 -3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.870 -0.198 -5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.546 -1.331 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.254 -0.789 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.591 1.938 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.692 1.074 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.031 3.833 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 124 5.961 4.438 -3.735 1.00 0.00 H new ATOM 1948 N THR A 125 11.602 -0.593 -2.915 1.00 0.00 N ATOM 1949 CA THR A 125 12.589 0.208 -2.164 1.00 0.00 C ATOM 1950 C THR A 125 12.462 1.689 -2.578 1.00 0.00 C ATOM 1951 O THR A 125 11.518 2.071 -3.262 1.00 0.00 O ATOM 1952 CB THR A 125 14.008 -0.334 -2.413 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.405 0.013 -3.736 1.00 0.00 O ATOM 1954 CG2 THR A 125 14.120 -1.853 -2.214 1.00 0.00 C ATOM 0 H THR A 125 12.018 -1.274 -3.551 1.00 0.00 H new ATOM 0 HA THR A 125 12.394 0.134 -1.094 1.00 0.00 H new ATOM 0 HB THR A 125 14.668 0.121 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.309 -0.326 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.145 -2.170 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.846 -2.107 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.448 -2.361 -2.906 1.00 0.00 H new ATOM 1962 N TYR A 126 13.463 2.489 -2.248 1.00 0.00 N ATOM 1963 CA TYR A 126 13.464 3.943 -2.544 1.00 0.00 C ATOM 1964 C TYR A 126 14.859 4.563 -2.336 1.00 0.00 C ATOM 1965 O TYR A 126 15.594 4.057 -1.481 1.00 0.00 O ATOM 1966 CB TYR A 126 12.368 4.622 -1.708 1.00 0.00 C ATOM 1967 CG TYR A 126 12.675 6.060 -1.281 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.353 7.148 -2.093 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.384 6.262 -0.091 1.00 0.00 C ATOM 1970 CE1 TYR A 126 12.736 8.462 -1.743 1.00 0.00 C ATOM 1971 CE2 TYR A 126 13.768 7.559 0.300 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.429 8.637 -0.535 1.00 0.00 C ATOM 1973 OH TYR A 126 13.737 9.885 -0.127 1.00 0.00 O ATOM 0 H TYR A 126 14.303 2.166 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 126 13.234 4.106 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.441 4.620 -2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.191 4.024 -0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 126 11.801 6.983 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.638 5.417 0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 126 12.504 9.301 -2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.310 7.721 1.220 1.00 0.00 H new ATOM 0 HH TYR A 126 14.150 9.846 0.761 1.00 0.00 H new ATOM 1983 N PRO A 127 15.221 5.554 -3.167 1.00 0.00 N ATOM 1984 CA PRO A 127 14.465 6.014 -4.347 1.00 0.00 C ATOM 1985 C PRO A 127 14.530 5.077 -5.538 1.00 0.00 C ATOM 1986 O PRO A 127 13.714 5.193 -6.450 1.00 0.00 O ATOM 1987 CB PRO A 127 14.966 7.423 -4.660 1.00 0.00 C ATOM 1988 CG PRO A 127 16.362 7.462 -4.063 1.00 0.00 C ATOM 1989 CD PRO A 127 16.421 6.386 -2.965 1.00 0.00 C ATOM 0 HA PRO A 127 13.399 6.023 -4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 127 14.987 7.609 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.322 8.183 -4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.113 7.270 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 127 16.575 8.447 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.330 5.790 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.424 6.837 -1.973 1.00 0.00 H new ATOM 1997 N ASN A 128 15.321 4.025 -5.340 1.00 0.00 N ATOM 1998 CA ASN A 128 15.483 2.943 -6.305 1.00 0.00 C ATOM 1999 C ASN A 128 14.146 2.489 -6.879 1.00 0.00 C ATOM 2000 O ASN A 128 13.985 2.522 -8.094 1.00 0.00 O ATOM 2001 CB ASN A 128 16.190 1.762 -5.636 1.00 0.00 C ATOM 2002 CG ASN A 128 17.531 1.504 -6.319 1.00 0.00 C ATOM 2003 OD1 ASN A 128 18.544 1.300 -5.670 1.00 0.00 O ATOM 2004 ND2 ASN A 128 17.534 1.520 -7.638 1.00 0.00 N ATOM 0 H ASN A 128 15.875 3.900 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 128 16.086 3.318 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 128 16.346 1.972 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.564 0.871 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.402 1.358 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 128 16.668 1.694 -8.148 1.00 0.00 H new ATOM 2011 N LYS A 129 13.217 2.182 -5.958 1.00 0.00 N ATOM 2012 CA LYS A 129 11.870 1.718 -6.322 1.00 0.00 C ATOM 2013 C LYS A 129 11.937 0.408 -7.098 1.00 0.00 C ATOM 2014 O LYS A 129 11.096 0.147 -7.965 1.00 0.00 O ATOM 2015 CB LYS A 129 11.138 2.791 -7.143 1.00 0.00 C ATOM 2016 CG LYS A 129 10.306 3.674 -6.242 1.00 0.00 C ATOM 2017 CD LYS A 129 9.870 4.921 -6.994 1.00 0.00 C ATOM 2018 CE LYS A 129 8.435 5.289 -6.639 1.00 0.00 C ATOM 2019 NZ LYS A 129 8.129 6.532 -7.356 1.00 0.00 N ATOM 0 H LYS A 129 13.376 2.248 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 129 11.312 1.540 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.862 3.397 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.498 2.315 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.431 3.127 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 129 10.883 3.954 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.534 5.750 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.952 4.752 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.748 4.495 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.325 5.426 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.098 6.638 -7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.517 7.341 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.555 6.500 -8.304 1.00 0.00 H new ATOM 2033 N VAL A 130 12.962 -0.381 -6.759 1.00 0.00 N ATOM 2034 CA VAL A 130 13.225 -1.702 -7.379 1.00 0.00 C ATOM 2035 C VAL A 130 12.073 -2.629 -6.982 1.00 0.00 C ATOM 2036 O VAL A 130 12.150 -3.314 -5.960 1.00 0.00 O ATOM 2037 CB VAL A 130 14.596 -2.270 -6.945 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.853 -3.672 -7.527 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.745 -1.374 -7.424 1.00 0.00 C ATOM 0 H VAL A 130 13.642 -0.127 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 130 13.274 -1.609 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 130 14.563 -2.316 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.827 -4.031 -7.195 1.00 0.00 H new ATOM 0 HG12 VAL A 130 14.078 -4.357 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.836 -3.623 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.696 -1.799 -7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.725 -1.307 -8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.631 -0.377 -6.997 1.00 0.00 H new ATOM 2049 N PHE A 131 10.998 -2.500 -7.742 1.00 0.00 N ATOM 2050 CA PHE A 131 9.761 -3.274 -7.596 1.00 0.00 C ATOM 2051 C PHE A 131 10.122 -4.728 -7.261 1.00 0.00 C ATOM 2052 O PHE A 131 10.805 -5.403 -8.020 1.00 0.00 O ATOM 2053 CB PHE A 131 8.970 -3.162 -8.901 1.00 0.00 C ATOM 2054 CG PHE A 131 7.840 -4.182 -8.997 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.594 -3.893 -8.399 1.00 0.00 C ATOM 2056 CD2 PHE A 131 8.132 -5.456 -9.531 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.622 -4.906 -8.340 1.00 0.00 C ATOM 2058 CE2 PHE A 131 7.176 -6.478 -9.433 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.930 -6.189 -8.834 1.00 0.00 C ATOM 0 H PHE A 131 10.954 -1.829 -8.509 1.00 0.00 H new ATOM 0 HA PHE A 131 9.141 -2.892 -6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.555 -2.158 -8.984 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.648 -3.297 -9.744 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.392 -2.912 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 131 9.082 -5.642 -10.010 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.648 -4.703 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.389 -7.468 -9.809 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.192 -6.974 -8.752 1.00 0.00 H new ATOM 2069 N CYS A 132 9.766 -5.094 -6.040 1.00 0.00 N ATOM 2070 CA CYS A 132 10.041 -6.458 -5.597 1.00 0.00 C ATOM 2071 C CYS A 132 8.853 -7.369 -5.902 1.00 0.00 C ATOM 2072 O CYS A 132 9.018 -8.473 -6.424 1.00 0.00 O ATOM 2073 CB CYS A 132 10.330 -6.436 -4.097 1.00 0.00 C ATOM 2074 SG CYS A 132 11.803 -7.475 -3.812 1.00 0.00 S ATOM 0 H CYS A 132 9.303 -4.494 -5.357 1.00 0.00 H new ATOM 0 HA CYS A 132 10.907 -6.851 -6.131 1.00 0.00 H new ATOM 0 HB2 CYS A 132 10.507 -5.416 -3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.477 -6.817 -3.536 1.00 0.00 H new ATOM 2079 N GLY A 133 7.688 -6.802 -5.632 1.00 0.00 N ATOM 2080 CA GLY A 133 6.427 -7.490 -5.813 1.00 0.00 C ATOM 2081 C GLY A 133 5.216 -6.722 -5.322 1.00 0.00 C ATOM 2082 O GLY A 133 5.212 -5.503 -5.217 1.00 0.00 O ATOM 0 H GLY A 133 7.594 -5.849 -5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.297 -7.710 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.471 -8.446 -5.292 1.00 0.00 H new ATOM 2086 N ILE A 134 4.205 -7.528 -5.060 1.00 0.00 N ATOM 2087 CA ILE A 134 2.956 -7.023 -4.480 1.00 0.00 C ATOM 2088 C ILE A 134 2.549 -7.951 -3.338 1.00 0.00 C ATOM 2089 O ILE A 134 2.663 -9.169 -3.438 1.00 0.00 O ATOM 2090 CB ILE A 134 1.869 -6.867 -5.560 1.00 0.00 C ATOM 2091 CG1 ILE A 134 2.158 -5.645 -6.415 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.443 -6.705 -5.007 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.500 -6.044 -7.847 1.00 0.00 C ATOM 0 H ILE A 134 4.215 -8.533 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 134 3.098 -6.023 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 134 1.905 -7.795 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 134 1.291 -4.985 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.986 -5.083 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.259 -6.601 -5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 134 0.180 -7.582 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.396 -5.816 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.702 -5.149 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.382 -6.684 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.660 -6.584 -8.285 1.00 0.00 H new ATOM 2105 N ILE A 135 2.124 -7.333 -2.260 1.00 0.00 N ATOM 2106 CA ILE A 135 1.642 -8.084 -1.091 1.00 0.00 C ATOM 2107 C ILE A 135 0.199 -7.701 -0.793 1.00 0.00 C ATOM 2108 O ILE A 135 -0.183 -6.540 -0.893 1.00 0.00 O ATOM 2109 CB ILE A 135 2.537 -7.824 0.124 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.466 -6.353 0.492 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.965 -8.292 -0.176 1.00 0.00 C ATOM 2112 CD1 ILE A 135 2.947 -6.130 1.908 1.00 0.00 C ATOM 0 H ILE A 135 2.097 -6.319 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 135 1.683 -9.150 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 135 2.190 -8.394 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.075 -5.771 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.441 -5.997 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.599 -8.105 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.959 -9.359 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.354 -7.745 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.887 -5.069 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.321 -6.695 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.980 -6.465 1.998 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.586 -8.703 -0.471 1.00 0.00 N ATOM 2125 CA ALA A 136 -1.995 -8.485 -0.133 1.00 0.00 C ATOM 2126 C ALA A 136 -2.366 -9.246 1.119 1.00 0.00 C ATOM 2127 O ALA A 136 -1.719 -10.238 1.468 1.00 0.00 O ATOM 2128 CB ALA A 136 -2.907 -8.934 -1.282 1.00 0.00 C ATOM 0 H ALA A 136 -0.286 -9.677 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.132 -7.417 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.948 -8.763 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.669 -8.363 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.753 -9.996 -1.475 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.433 -8.779 1.746 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.930 -9.409 2.973 1.00 0.00 C ATOM 2136 C HIS A 137 -4.831 -10.589 2.615 1.00 0.00 C ATOM 2137 O HIS A 137 -5.872 -10.446 1.990 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.648 -8.396 3.855 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.694 -7.281 4.318 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.186 -7.157 5.539 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.418 -6.178 3.647 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -2.647 -5.939 5.639 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -2.732 -5.359 4.451 1.00 0.00 N ATOM 0 H HIS A 137 -3.973 -7.972 1.434 1.00 0.00 H new ATOM 0 HA HIS A 137 -3.085 -9.786 3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.482 -7.959 3.306 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -5.069 -8.901 4.724 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.204 -7.867 6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -3.698 -5.973 2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.218 -5.504 6.530 1.00 0.00 H new ATOM 2152 N THR A 138 -4.497 -11.730 3.184 1.00 0.00 N ATOM 2153 CA THR A 138 -5.249 -12.984 2.996 1.00 0.00 C ATOM 2154 C THR A 138 -6.471 -13.066 3.917 1.00 0.00 C ATOM 2155 O THR A 138 -7.181 -14.073 3.960 1.00 0.00 O ATOM 2156 CB THR A 138 -4.304 -14.161 3.245 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.547 -13.885 4.426 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.412 -14.403 2.027 1.00 0.00 C ATOM 0 H THR A 138 -3.689 -11.828 3.799 1.00 0.00 H new ATOM 0 HA THR A 138 -5.628 -13.016 1.974 1.00 0.00 H new ATOM 0 HB THR A 138 -4.870 -15.080 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.935 -14.630 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.747 -15.244 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.033 -14.627 1.160 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.819 -13.511 1.827 1.00 0.00 H new ATOM 2166 N LYS A 139 -6.803 -11.930 4.535 1.00 0.00 N ATOM 2167 CA LYS A 139 -7.968 -11.806 5.414 1.00 0.00 C ATOM 2168 C LYS A 139 -8.520 -10.369 5.354 1.00 0.00 C ATOM 2169 O LYS A 139 -8.159 -9.503 6.150 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.572 -12.181 6.850 1.00 0.00 C ATOM 2171 CG LYS A 139 -8.749 -12.879 7.522 1.00 0.00 C ATOM 2172 CD LYS A 139 -8.588 -14.404 7.453 1.00 0.00 C ATOM 2173 CE LYS A 139 -9.910 -15.067 7.057 1.00 0.00 C ATOM 2174 NZ LYS A 139 -9.950 -16.440 7.570 1.00 0.00 N ATOM 0 H LYS A 139 -6.269 -11.066 4.439 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.751 -12.487 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -6.701 -12.836 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.294 -11.288 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -8.820 -12.563 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -9.679 -12.584 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -7.815 -14.661 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.259 -14.785 8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -10.748 -14.495 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.015 -15.071 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -10.849 -16.886 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.159 -16.984 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.870 -16.426 8.607 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.336 -10.146 4.318 1.00 0.00 N ATOM 2189 CA GLU A 140 -9.943 -8.839 4.014 1.00 0.00 C ATOM 2190 C GLU A 140 -8.890 -7.777 3.675 1.00 0.00 C ATOM 2191 O GLU A 140 -8.421 -7.695 2.535 1.00 0.00 O ATOM 2192 CB GLU A 140 -10.864 -8.360 5.150 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.278 -8.915 5.083 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.226 -7.937 5.802 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -12.869 -7.474 6.908 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.246 -7.613 5.156 1.00 0.00 O ATOM 0 H GLU A 140 -9.599 -10.876 3.656 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.558 -8.982 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -10.420 -8.641 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -10.912 -7.271 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.585 -9.044 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -12.321 -9.898 5.553 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.489 -7.022 4.695 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.475 -5.964 4.590 1.00 0.00 C ATOM 2205 C ASN A 141 -6.651 -5.895 5.868 1.00 0.00 C ATOM 2206 O ASN A 141 -5.455 -5.705 5.848 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.141 -4.615 4.366 1.00 0.00 C ATOM 2208 CG ASN A 141 -7.163 -3.617 3.740 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -5.945 -3.764 3.730 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -7.729 -2.587 3.165 1.00 0.00 N ATOM 0 H ASN A 141 -8.864 -7.127 5.638 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.827 -6.198 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.008 -4.737 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -8.507 -4.224 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.156 -1.886 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -8.744 -2.485 3.186 1.00 0.00 H new ATOM 2217 N GLN A 142 -7.285 -5.997 7.017 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.586 -5.956 8.309 1.00 0.00 C ATOM 2219 C GLN A 142 -6.287 -7.376 8.823 1.00 0.00 C ATOM 2220 O GLN A 142 -6.812 -7.837 9.842 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.399 -5.118 9.306 1.00 0.00 C ATOM 2222 CG GLN A 142 -8.886 -5.487 9.269 1.00 0.00 C ATOM 2223 CD GLN A 142 -9.607 -4.971 10.498 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -10.008 -5.730 11.368 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -9.797 -3.682 10.565 1.00 0.00 N ATOM 0 H GLN A 142 -8.296 -6.111 7.095 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.617 -5.473 8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -7.010 -5.270 10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.280 -4.059 9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -9.345 -5.070 8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -8.994 -6.570 9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -9.449 -3.076 9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -10.293 -3.280 11.361 1.00 0.00 H new ATOM 2234 N GLY A 143 -5.479 -8.071 8.034 1.00 0.00 N ATOM 2235 CA GLY A 143 -5.105 -9.465 8.327 1.00 0.00 C ATOM 2236 C GLY A 143 -3.623 -9.717 8.068 1.00 0.00 C ATOM 2237 O GLY A 143 -2.791 -8.811 8.058 1.00 0.00 O ATOM 0 H GLY A 143 -5.064 -7.698 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -5.337 -9.693 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -5.702 -10.139 7.712 1.00 0.00 H new ATOM 2241 N GLU A 144 -3.354 -10.966 7.717 1.00 0.00 N ATOM 2242 CA GLU A 144 -1.993 -11.387 7.333 1.00 0.00 C ATOM 2243 C GLU A 144 -1.724 -11.094 5.852 1.00 0.00 C ATOM 2244 O GLU A 144 -2.565 -11.340 5.000 1.00 0.00 O ATOM 2245 CB GLU A 144 -1.751 -12.870 7.604 1.00 0.00 C ATOM 2246 CG GLU A 144 -1.056 -13.061 8.953 1.00 0.00 C ATOM 2247 CD GLU A 144 -2.021 -13.484 10.059 1.00 0.00 C ATOM 2248 OE1 GLU A 144 -2.459 -14.658 9.997 1.00 0.00 O ATOM 2249 OE2 GLU A 144 -2.262 -12.658 10.958 1.00 0.00 O ATOM 0 H GLU A 144 -4.050 -11.711 7.687 1.00 0.00 H new ATOM 0 HA GLU A 144 -1.305 -10.809 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -2.700 -13.407 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -1.139 -13.296 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -0.274 -13.814 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -0.567 -12.130 9.240 1.00 0.00 H new ATOM 2256 N LEU A 145 -0.562 -10.503 5.597 1.00 0.00 N ATOM 2257 CA LEU A 145 -0.118 -10.207 4.219 1.00 0.00 C ATOM 2258 C LEU A 145 0.678 -11.382 3.663 1.00 0.00 C ATOM 2259 O LEU A 145 1.437 -12.040 4.373 1.00 0.00 O ATOM 2260 CB LEU A 145 0.755 -8.963 4.148 1.00 0.00 C ATOM 2261 CG LEU A 145 -0.069 -7.711 4.349 1.00 0.00 C ATOM 2262 CD1 LEU A 145 0.486 -6.920 5.532 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.151 -6.857 3.082 1.00 0.00 C ATOM 0 H LEU A 145 0.098 -10.215 6.320 1.00 0.00 H new ATOM 0 HA LEU A 145 -1.018 -10.033 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.533 -9.017 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.257 -8.921 3.181 1.00 0.00 H new ATOM 0 HG LEU A 145 -1.094 -8.008 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -0.108 -6.018 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 145 0.441 -7.533 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 145 1.521 -6.645 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.753 -5.970 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.852 -6.555 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.610 -7.437 2.281 1.00 0.00 H new ATOM 2275 N LYS A 146 0.447 -11.639 2.385 1.00 0.00 N ATOM 2276 CA LYS A 146 1.148 -12.705 1.661 1.00 0.00 C ATOM 2277 C LYS A 146 1.555 -12.165 0.293 1.00 0.00 C ATOM 2278 O LYS A 146 0.712 -11.674 -0.456 1.00 0.00 O ATOM 2279 CB LYS A 146 0.215 -13.907 1.500 1.00 0.00 C ATOM 2280 CG LYS A 146 0.899 -15.094 0.809 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.139 -15.991 0.151 1.00 0.00 C ATOM 2282 CE LYS A 146 0.170 -17.452 0.471 1.00 0.00 C ATOM 2283 NZ LYS A 146 -0.618 -18.331 -0.411 1.00 0.00 N ATOM 0 H LYS A 146 -0.225 -11.123 1.818 1.00 0.00 H new ATOM 0 HA LYS A 146 2.034 -13.023 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.143 -14.219 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -0.660 -13.609 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.603 -14.731 0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.474 -15.665 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -1.136 -15.733 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.137 -15.836 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.234 -17.646 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -0.064 -17.663 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -0.405 -19.325 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -1.632 -18.153 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.374 -18.137 -1.403 1.00 0.00 H new ATOM 2297 N LEU A 147 2.864 -12.178 0.083 1.00 0.00 N ATOM 2298 CA LEU A 147 3.469 -11.795 -1.202 1.00 0.00 C ATOM 2299 C LEU A 147 2.733 -12.527 -2.322 1.00 0.00 C ATOM 2300 O LEU A 147 2.737 -13.758 -2.373 1.00 0.00 O ATOM 2301 CB LEU A 147 4.963 -12.153 -1.215 1.00 0.00 C ATOM 2302 CG LEU A 147 5.580 -11.990 -2.605 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.901 -10.527 -2.924 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.822 -12.868 -2.716 1.00 0.00 C ATOM 0 H LEU A 147 3.543 -12.453 0.793 1.00 0.00 H new ATOM 0 HA LEU A 147 3.381 -10.718 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.494 -11.518 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 147 5.092 -13.182 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 147 4.848 -12.312 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.337 -10.459 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.985 -9.937 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.610 -10.142 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.262 -12.752 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.548 -12.569 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.545 -13.911 -2.562 1.00 0.00 H new ATOM 2316 N CYS A 148 1.982 -11.728 -3.084 1.00 0.00 N ATOM 2317 CA CYS A 148 1.249 -12.205 -4.264 1.00 0.00 C ATOM 2318 C CYS A 148 2.208 -12.956 -5.188 1.00 0.00 C ATOM 2319 O CYS A 148 3.419 -13.071 -4.960 1.00 0.00 O ATOM 2320 CB CYS A 148 0.596 -11.036 -5.005 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.518 -10.020 -3.969 1.00 0.00 S ATOM 0 H CYS A 148 1.864 -10.731 -2.902 1.00 0.00 H new ATOM 0 HA CYS A 148 0.457 -12.881 -3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.379 -10.396 -5.413 1.00 0.00 H new ATOM 0 HB3 CYS A 148 0.031 -11.427 -5.851 1.00 0.00 H new ATOM 2326 N SER A 149 1.642 -13.502 -6.246 1.00 0.00 N ATOM 2327 CA SER A 149 2.431 -14.310 -7.175 1.00 0.00 C ATOM 2328 C SER A 149 1.951 -14.081 -8.597 1.00 0.00 C ATOM 2329 O SER A 149 0.843 -13.633 -8.848 1.00 0.00 O ATOM 2330 CB SER A 149 2.336 -15.800 -6.831 1.00 0.00 C ATOM 2331 OG SER A 149 0.985 -16.241 -6.911 1.00 0.00 O ATOM 0 H SER A 149 0.656 -13.408 -6.488 1.00 0.00 H new ATOM 0 HA SER A 149 3.474 -14.004 -7.088 1.00 0.00 H new ATOM 0 HB2 SER A 149 2.956 -16.378 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 149 2.723 -15.974 -5.827 1.00 0.00 H new ATOM 0 HG SER A 149 0.939 -17.195 -6.691 1.00 0.00 H new ATOM 2337 N HIS A 150 2.840 -14.383 -9.514 1.00 0.00 N ATOM 2338 CA HIS A 150 2.542 -14.215 -10.942 1.00 0.00 C ATOM 2339 C HIS A 150 2.796 -15.478 -11.800 1.00 0.00 C ATOM 2340 O HIS A 150 2.087 -16.464 -11.519 1.00 0.00 O ATOM 2341 CB HIS A 150 3.297 -12.989 -11.419 1.00 0.00 C ATOM 2342 CG HIS A 150 4.803 -13.004 -11.182 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.717 -13.540 -11.972 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.430 -12.442 -10.160 1.00 0.00 C ATOM 2345 CE1 HIS A 150 6.916 -13.320 -11.438 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.731 -12.629 -10.318 1.00 0.00 N ATOM 2347 OXT HIS A 150 3.738 -15.478 -12.624 1.00 0.00 O ATOM 0 H HIS A 150 3.772 -14.744 -9.313 1.00 0.00 H new ATOM 0 HA HIS A 150 1.470 -14.064 -11.071 1.00 0.00 H new ATOM 0 HB2 HIS A 150 3.117 -12.868 -12.487 1.00 0.00 H new ATOM 0 HB3 HIS A 150 2.879 -12.113 -10.924 1.00 0.00 H new ATOM 0 HD1 HIS A 150 5.534 -14.038 -12.843 1.00 0.00 H new ATOM 0 HD2 HIS A 150 4.961 -11.921 -9.339 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.865 -13.643 -11.841 1.00 0.00 H new