USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1073 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot -105:sc= 0.599 USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= -2.67! USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.0176 X(o=-0.7,f=-0.69) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.683 K(o=-0.7,f=-1.9) USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 50 ASN : amide:sc= -0.117 X(o=-0.12,f=0.017) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.57) USER MOD Set 4.2: A 42 THR OG1 : rot 150:sc= -0.27 USER MOD Set 4.3: A 82 HIS : no HD1:sc= 0.0153 K(o=-0.19,f=-2) USER MOD Set 4.4: A 132 THR OG1 : rot -151:sc= 0.25 USER MOD Set 5.1: A 27 MET CE :methyl -144:sc= -8.46! (180deg=-2.85!) USER MOD Set 5.2: A 31 ASN : amide:sc= -12.1! C(o=-20!,f=-33!) USER MOD Set 5.3: A 98 TYR OH : rot 25:sc= 0.978 USER MOD Single : A 1 ARG N :NH3+ -109:sc= 0.154 (180deg=-2.67) USER MOD Single : A 4 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.39) USER MOD Single : A 6 THR OG1 : rot -171:sc= -0.586 USER MOD Single : A 9 GLN :FLIP amide:sc= -1.28 F(o=-4.5,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= -4.96! C(o=-5!,f=-7!) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -0.316 F(o=-3.2!,f=-0.32) USER MOD Single : A 17 SER OG : rot 4:sc= -0.524 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.911 F(o=-2.6,f=-0.91) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.917 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.54) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0177 F(o=-2.9,f=-0.018) USER MOD Single : A 46 THR OG1 : rot 170:sc= -0.934 USER MOD Single : A 53 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.096) USER MOD Single : A 57 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.3!) USER MOD Single : A 58 GLN : amide:sc= -0.315 K(o=-0.32,f=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -57:sc= 0.738 USER MOD Single : A 69 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.76) USER MOD Single : A 72 HIS : no HE2:sc= -8.99! C(o=-9!,f=-10!) USER MOD Single : A 87 ASN :FLIP amide:sc= -1.56 F(o=-3!,f=-1.6) USER MOD Single : A 91 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 92 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.83) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.708 X(o=-0.71,f=-1.1) USER MOD Single : A 113 ASN : amide:sc= -0.0212 K(o=-0.021,f=-3.5!) USER MOD Single : A 119 SER OG : rot 130:sc= -1.02 USER MOD Single : A 122 TYR OH : rot 180:sc= -3.87! USER MOD Single : A 128 HIS :FLIP no HD1:sc= -1.46 F(o=-3.3!,f=-1.5) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0217 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.306 -10.005 -0.641 1.00 72.32 N ATOM 2 CA ARG A 1 7.316 -9.721 -1.652 1.00 31.52 C ATOM 3 C ARG A 1 7.887 -11.013 -2.228 1.00 24.30 C ATOM 4 O ARG A 1 9.003 -11.424 -1.909 1.00 41.31 O ATOM 5 CB ARG A 1 8.442 -8.875 -1.055 1.00 71.23 C ATOM 6 CG ARG A 1 9.078 -9.492 0.180 1.00 1.12 C ATOM 7 CD ARG A 1 9.678 -8.429 1.087 1.00 12.23 C ATOM 8 NE ARG A 1 9.834 -8.904 2.459 1.00 34.31 N ATOM 9 CZ ARG A 1 10.204 -8.126 3.469 1.00 44.30 C ATOM 10 NH1 ARG A 1 10.458 -6.840 3.262 1.00 21.41 N ATOM 11 NH2 ARG A 1 10.324 -8.632 4.690 1.00 73.31 N ATOM 0 H1 ARG A 1 5.366 -9.758 -1.010 1.00 72.32 H new ATOM 0 H2 ARG A 1 6.329 -11.017 -0.402 1.00 72.32 H new ATOM 0 H3 ARG A 1 6.501 -9.443 0.212 1.00 72.32 H new ATOM 0 HA ARG A 1 6.840 -9.163 -2.458 1.00 31.52 H new ATOM 0 HB2 ARG A 1 9.211 -8.723 -1.812 1.00 71.23 H new ATOM 0 HB3 ARG A 1 8.049 -7.891 -0.798 1.00 71.23 H new ATOM 0 HG2 ARG A 1 8.329 -10.061 0.731 1.00 1.12 H new ATOM 0 HG3 ARG A 1 9.854 -10.195 -0.122 1.00 1.12 H new ATOM 0 HD2 ARG A 1 10.649 -8.125 0.696 1.00 12.23 H new ATOM 0 HD3 ARG A 1 9.041 -7.545 1.080 1.00 12.23 H new ATOM 0 HE ARG A 1 9.648 -9.888 2.652 1.00 34.31 H new ATOM 0 HH11 ARG A 1 10.369 -6.447 2.325 1.00 21.41 H new ATOM 0 HH12 ARG A 1 10.742 -6.245 4.040 1.00 21.41 H new ATOM 0 HH21 ARG A 1 10.132 -9.620 4.854 1.00 73.31 H new ATOM 0 HH22 ARG A 1 10.608 -8.033 5.465 1.00 73.31 H new ATOM 25 N PRO A 2 7.105 -11.672 -3.096 1.00 54.23 N ATOM 26 CA PRO A 2 7.512 -12.927 -3.734 1.00 42.14 C ATOM 27 C PRO A 2 8.634 -12.725 -4.748 1.00 14.32 C ATOM 28 O PRO A 2 8.982 -11.600 -5.109 1.00 22.24 O ATOM 29 CB PRO A 2 6.236 -13.398 -4.437 1.00 22.31 C ATOM 30 CG PRO A 2 5.454 -12.153 -4.677 1.00 2.51 C ATOM 31 CD PRO A 2 5.763 -11.240 -3.522 1.00 25.52 C ATOM 0 HA PRO A 2 7.906 -13.642 -3.012 1.00 42.14 H new ATOM 0 HB2 PRO A 2 6.465 -13.908 -5.373 1.00 22.31 H new ATOM 0 HB3 PRO A 2 5.680 -14.102 -3.818 1.00 22.31 H new ATOM 0 HG2 PRO A 2 5.735 -11.693 -5.624 1.00 2.51 H new ATOM 0 HG3 PRO A 2 4.387 -12.367 -4.730 1.00 2.51 H new ATOM 0 HD2 PRO A 2 5.755 -10.193 -3.824 1.00 25.52 H new ATOM 0 HD3 PRO A 2 5.033 -11.346 -2.719 1.00 25.52 H new ATOM 39 N PRO A 3 9.214 -13.838 -5.219 1.00 71.42 N ATOM 40 CA PRO A 3 10.305 -13.809 -6.199 1.00 30.41 C ATOM 41 C PRO A 3 9.834 -13.353 -7.576 1.00 25.42 C ATOM 42 O PRO A 3 10.647 -13.098 -8.465 1.00 32.42 O ATOM 43 CB PRO A 3 10.775 -15.265 -6.249 1.00 32.13 C ATOM 44 CG PRO A 3 9.588 -16.061 -5.831 1.00 21.54 C ATOM 45 CD PRO A 3 8.850 -15.212 -4.833 1.00 24.32 C ATOM 0 HA PRO A 3 11.087 -13.104 -5.918 1.00 30.41 H new ATOM 0 HB2 PRO A 3 11.104 -15.541 -7.251 1.00 32.13 H new ATOM 0 HB3 PRO A 3 11.619 -15.432 -5.580 1.00 32.13 H new ATOM 0 HG2 PRO A 3 8.955 -16.296 -6.687 1.00 21.54 H new ATOM 0 HG3 PRO A 3 9.891 -17.010 -5.388 1.00 21.54 H new ATOM 0 HD2 PRO A 3 7.773 -15.373 -4.887 1.00 24.32 H new ATOM 0 HD3 PRO A 3 9.155 -15.436 -3.811 1.00 24.32 H new ATOM 53 N GLN A 4 8.520 -13.253 -7.745 1.00 3.11 N ATOM 54 CA GLN A 4 7.944 -12.827 -9.014 1.00 61.32 C ATOM 55 C GLN A 4 7.587 -11.345 -8.981 1.00 42.23 C ATOM 56 O GLN A 4 7.331 -10.734 -10.019 1.00 24.41 O ATOM 57 CB GLN A 4 6.699 -13.656 -9.337 1.00 20.43 C ATOM 58 CG GLN A 4 6.455 -13.834 -10.827 1.00 2.52 C ATOM 59 CD GLN A 4 7.633 -14.468 -11.539 1.00 52.44 C ATOM 60 OE1 GLN A 4 8.256 -13.849 -12.403 1.00 24.22 O ATOM 61 NE2 GLN A 4 7.945 -15.707 -11.181 1.00 31.00 N ATOM 0 H GLN A 4 7.834 -13.461 -7.019 1.00 3.11 H new ATOM 0 HA GLN A 4 8.690 -12.985 -9.793 1.00 61.32 H new ATOM 0 HB2 GLN A 4 6.796 -14.638 -8.874 1.00 20.43 H new ATOM 0 HB3 GLN A 4 5.828 -13.177 -8.889 1.00 20.43 H new ATOM 0 HG2 GLN A 4 5.570 -14.453 -10.975 1.00 2.52 H new ATOM 0 HG3 GLN A 4 6.244 -12.863 -11.275 1.00 2.52 H new ATOM 0 HE21 GLN A 4 7.401 -16.182 -10.460 1.00 31.00 H new ATOM 0 HE22 GLN A 4 8.729 -16.185 -11.626 1.00 31.00 H new ATOM 70 N PHE A 5 7.573 -10.772 -7.783 1.00 15.12 N ATOM 71 CA PHE A 5 7.245 -9.361 -7.614 1.00 42.40 C ATOM 72 C PHE A 5 8.287 -8.662 -6.744 1.00 54.30 C ATOM 73 O PHE A 5 8.742 -9.208 -5.740 1.00 4.02 O ATOM 74 CB PHE A 5 5.857 -9.208 -6.990 1.00 3.54 C ATOM 75 CG PHE A 5 4.764 -9.853 -7.793 1.00 22.11 C ATOM 76 CD1 PHE A 5 4.807 -9.843 -9.178 1.00 14.11 C ATOM 77 CD2 PHE A 5 3.695 -10.469 -7.163 1.00 61.42 C ATOM 78 CE1 PHE A 5 3.801 -10.436 -9.919 1.00 41.35 C ATOM 79 CE2 PHE A 5 2.688 -11.064 -7.900 1.00 32.00 C ATOM 80 CZ PHE A 5 2.742 -11.047 -9.279 1.00 72.32 C ATOM 0 H PHE A 5 7.785 -11.263 -6.914 1.00 15.12 H new ATOM 0 HA PHE A 5 7.245 -8.893 -8.598 1.00 42.40 H new ATOM 0 HB2 PHE A 5 5.867 -9.642 -5.990 1.00 3.54 H new ATOM 0 HB3 PHE A 5 5.634 -8.147 -6.874 1.00 3.54 H new ATOM 0 HD1 PHE A 5 5.634 -9.367 -9.684 1.00 14.11 H new ATOM 0 HD2 PHE A 5 3.648 -10.485 -6.084 1.00 61.42 H new ATOM 0 HE1 PHE A 5 3.844 -10.421 -10.998 1.00 41.35 H new ATOM 0 HE2 PHE A 5 1.860 -11.542 -7.397 1.00 32.00 H new ATOM 0 HZ PHE A 5 1.956 -11.511 -9.857 1.00 72.32 H new ATOM 90 N THR A 6 8.660 -7.448 -7.139 1.00 11.23 N ATOM 91 CA THR A 6 9.647 -6.674 -6.397 1.00 51.11 C ATOM 92 C THR A 6 9.063 -6.138 -5.096 1.00 73.41 C ATOM 93 O THR A 6 7.931 -6.462 -4.733 1.00 53.30 O ATOM 94 CB THR A 6 10.177 -5.493 -7.232 1.00 64.34 C ATOM 95 OG1 THR A 6 9.172 -5.052 -8.152 1.00 25.43 O ATOM 96 CG2 THR A 6 11.432 -5.891 -7.998 1.00 11.05 C ATOM 0 H THR A 6 8.293 -6.980 -7.968 1.00 11.23 H new ATOM 0 HA THR A 6 10.471 -7.350 -6.170 1.00 51.11 H new ATOM 0 HB THR A 6 10.428 -4.680 -6.551 1.00 64.34 H new ATOM 0 HG1 THR A 6 9.559 -4.397 -8.769 1.00 25.43 H new ATOM 0 HG21 THR A 6 11.788 -5.041 -8.580 1.00 11.05 H new ATOM 0 HG22 THR A 6 12.206 -6.198 -7.294 1.00 11.05 H new ATOM 0 HG23 THR A 6 11.202 -6.719 -8.668 1.00 11.05 H new ATOM 104 N ARG A 7 9.839 -5.316 -4.397 1.00 71.52 N ATOM 105 CA ARG A 7 9.397 -4.736 -3.135 1.00 32.12 C ATOM 106 C ARG A 7 8.463 -3.554 -3.377 1.00 62.44 C ATOM 107 O ARG A 7 7.551 -3.300 -2.593 1.00 35.55 O ATOM 108 CB ARG A 7 10.602 -4.287 -2.306 1.00 12.12 C ATOM 109 CG ARG A 7 11.167 -5.377 -1.411 1.00 72.30 C ATOM 110 CD ARG A 7 11.858 -4.793 -0.189 1.00 63.53 C ATOM 111 NE ARG A 7 12.944 -5.646 0.285 1.00 61.21 N ATOM 112 CZ ARG A 7 14.102 -5.785 -0.351 1.00 3.42 C ATOM 113 NH1 ARG A 7 14.323 -5.128 -1.482 1.00 1.33 N ATOM 114 NH2 ARG A 7 15.042 -6.580 0.144 1.00 51.42 N ATOM 0 H ARG A 7 10.777 -5.037 -4.684 1.00 71.52 H new ATOM 0 HA ARG A 7 8.850 -5.501 -2.584 1.00 32.12 H new ATOM 0 HB2 ARG A 7 11.386 -3.939 -2.979 1.00 12.12 H new ATOM 0 HB3 ARG A 7 10.311 -3.437 -1.689 1.00 12.12 H new ATOM 0 HG2 ARG A 7 10.363 -6.041 -1.093 1.00 72.30 H new ATOM 0 HG3 ARG A 7 11.876 -5.982 -1.976 1.00 72.30 H new ATOM 0 HD2 ARG A 7 12.252 -3.806 -0.432 1.00 63.53 H new ATOM 0 HD3 ARG A 7 11.129 -4.657 0.610 1.00 63.53 H new ATOM 0 HE ARG A 7 12.806 -6.164 1.153 1.00 61.21 H new ATOM 0 HH11 ARG A 7 13.603 -4.515 -1.865 1.00 1.33 H new ATOM 0 HH12 ARG A 7 15.213 -5.236 -1.969 1.00 1.33 H new ATOM 0 HH21 ARG A 7 14.876 -7.086 1.014 1.00 51.42 H new ATOM 0 HH22 ARG A 7 15.931 -6.686 -0.346 1.00 51.42 H new ATOM 128 N ALA A 8 8.700 -2.834 -4.469 1.00 51.41 N ATOM 129 CA ALA A 8 7.880 -1.680 -4.815 1.00 42.23 C ATOM 130 C ALA A 8 6.661 -2.097 -5.630 1.00 33.44 C ATOM 131 O ALA A 8 5.525 -1.956 -5.179 1.00 32.11 O ATOM 132 CB ALA A 8 8.705 -0.657 -5.583 1.00 33.10 C ATOM 0 H ALA A 8 9.453 -3.030 -5.129 1.00 51.41 H new ATOM 0 HA ALA A 8 7.528 -1.226 -3.889 1.00 42.23 H new ATOM 0 HB1 ALA A 8 8.080 0.200 -5.835 1.00 33.10 H new ATOM 0 HB2 ALA A 8 9.541 -0.327 -4.966 1.00 33.10 H new ATOM 0 HB3 ALA A 8 9.086 -1.110 -6.498 1.00 33.10 H new ATOM 138 N GLN A 9 6.905 -2.611 -6.831 1.00 72.42 N ATOM 139 CA GLN A 9 5.825 -3.048 -7.709 1.00 14.22 C ATOM 140 C GLN A 9 4.833 -3.929 -6.954 1.00 43.43 C ATOM 141 O GLN A 9 3.651 -3.978 -7.293 1.00 32.31 O ATOM 142 CB GLN A 9 6.390 -3.807 -8.909 1.00 22.43 C ATOM 143 CG GLN A 9 6.471 -5.311 -8.694 1.00 61.14 C ATOM 144 CD GLN A 9 5.224 -6.035 -9.160 1.00 54.34 C ATOM 145 OE1 GLN A 9 4.478 -6.598 -8.216 1.00 44.31 O flip ATOM 146 NE2 GLN A 9 4.931 -6.088 -10.355 1.00 44.52 N flip ATOM 0 H GLN A 9 7.840 -2.735 -7.219 1.00 72.42 H new ATOM 0 HA GLN A 9 5.299 -2.162 -8.065 1.00 14.22 H new ATOM 0 HB2 GLN A 9 5.768 -3.606 -9.781 1.00 22.43 H new ATOM 0 HB3 GLN A 9 7.386 -3.426 -9.133 1.00 22.43 H new ATOM 0 HG2 GLN A 9 7.336 -5.704 -9.228 1.00 61.14 H new ATOM 0 HG3 GLN A 9 6.630 -5.515 -7.635 1.00 61.14 H new ATOM 0 HE21 GLN A 9 5.532 -5.642 -11.048 1.00 44.52 H new ATOM 0 HE22 GLN A 9 4.087 -6.578 -10.652 1.00 44.52 H new ATOM 155 N TRP A 10 5.324 -4.621 -5.933 1.00 73.22 N ATOM 156 CA TRP A 10 4.481 -5.502 -5.132 1.00 54.23 C ATOM 157 C TRP A 10 3.734 -4.713 -4.061 1.00 71.03 C ATOM 158 O TRP A 10 2.664 -5.120 -3.610 1.00 53.04 O ATOM 159 CB TRP A 10 5.326 -6.597 -4.480 1.00 54.40 C ATOM 160 CG TRP A 10 4.508 -7.640 -3.778 1.00 41.54 C ATOM 161 CD1 TRP A 10 4.668 -8.079 -2.496 1.00 60.11 C ATOM 162 CD2 TRP A 10 3.405 -8.373 -4.323 1.00 0.31 C ATOM 163 NE1 TRP A 10 3.731 -9.042 -2.209 1.00 72.44 N ATOM 164 CE2 TRP A 10 2.943 -9.240 -3.313 1.00 4.24 C ATOM 165 CE3 TRP A 10 2.762 -8.380 -5.563 1.00 34.43 C ATOM 166 CZ2 TRP A 10 1.870 -10.104 -3.508 1.00 61.13 C ATOM 167 CZ3 TRP A 10 1.696 -9.239 -5.755 1.00 1.12 C ATOM 168 CH2 TRP A 10 1.258 -10.091 -4.733 1.00 11.31 C ATOM 0 H TRP A 10 6.300 -4.590 -5.640 1.00 73.22 H new ATOM 0 HA TRP A 10 3.749 -5.965 -5.794 1.00 54.23 H new ATOM 0 HB2 TRP A 10 5.937 -7.078 -5.244 1.00 54.40 H new ATOM 0 HB3 TRP A 10 6.011 -6.141 -3.765 1.00 54.40 H new ATOM 0 HD1 TRP A 10 5.420 -7.722 -1.808 1.00 60.11 H new ATOM 0 HE1 TRP A 10 3.637 -9.531 -1.319 1.00 72.44 H new ATOM 0 HE3 TRP A 10 3.092 -7.726 -6.357 1.00 34.43 H new ATOM 0 HZ2 TRP A 10 1.532 -10.762 -2.721 1.00 61.13 H new ATOM 0 HZ3 TRP A 10 1.192 -9.253 -6.710 1.00 1.12 H new ATOM 0 HH2 TRP A 10 0.422 -10.750 -4.915 1.00 11.31 H new ATOM 179 N PHE A 11 4.306 -3.583 -3.658 1.00 71.32 N ATOM 180 CA PHE A 11 3.693 -2.738 -2.639 1.00 45.42 C ATOM 181 C PHE A 11 2.364 -2.172 -3.129 1.00 31.15 C ATOM 182 O PHE A 11 1.345 -2.273 -2.446 1.00 43.31 O ATOM 183 CB PHE A 11 4.639 -1.595 -2.259 1.00 70.31 C ATOM 184 CG PHE A 11 3.925 -0.344 -1.834 1.00 24.22 C ATOM 185 CD1 PHE A 11 3.415 0.532 -2.777 1.00 55.43 C ATOM 186 CD2 PHE A 11 3.764 -0.046 -0.491 1.00 53.23 C ATOM 187 CE1 PHE A 11 2.759 1.685 -2.389 1.00 14.15 C ATOM 188 CE2 PHE A 11 3.109 1.105 -0.095 1.00 52.05 C ATOM 189 CZ PHE A 11 2.604 1.971 -1.046 1.00 54.44 C ATOM 0 H PHE A 11 5.192 -3.231 -4.021 1.00 71.32 H new ATOM 0 HA PHE A 11 3.503 -3.352 -1.759 1.00 45.42 H new ATOM 0 HB2 PHE A 11 5.289 -1.926 -1.449 1.00 70.31 H new ATOM 0 HB3 PHE A 11 5.281 -1.367 -3.110 1.00 70.31 H new ATOM 0 HD1 PHE A 11 3.531 0.312 -3.828 1.00 55.43 H new ATOM 0 HD2 PHE A 11 4.155 -0.721 0.256 1.00 53.23 H new ATOM 0 HE1 PHE A 11 2.368 2.362 -3.135 1.00 14.15 H new ATOM 0 HE2 PHE A 11 2.992 1.327 0.955 1.00 52.05 H new ATOM 0 HZ PHE A 11 2.089 2.870 -0.740 1.00 54.44 H new ATOM 199 N ALA A 12 2.382 -1.576 -4.316 1.00 45.14 N ATOM 200 CA ALA A 12 1.179 -0.995 -4.899 1.00 11.45 C ATOM 201 C ALA A 12 0.145 -2.071 -5.210 1.00 22.34 C ATOM 202 O ALA A 12 -1.057 -1.805 -5.221 1.00 61.24 O ATOM 203 CB ALA A 12 1.526 -0.215 -6.157 1.00 74.35 C ATOM 0 H ALA A 12 3.217 -1.483 -4.894 1.00 45.14 H new ATOM 0 HA ALA A 12 0.745 -0.311 -4.169 1.00 11.45 H new ATOM 0 HB1 ALA A 12 0.618 0.213 -6.582 1.00 74.35 H new ATOM 0 HB2 ALA A 12 2.223 0.585 -5.908 1.00 74.35 H new ATOM 0 HB3 ALA A 12 1.986 -0.884 -6.884 1.00 74.35 H new ATOM 209 N ILE A 13 0.620 -3.287 -5.460 1.00 74.21 N ATOM 210 CA ILE A 13 -0.265 -4.404 -5.770 1.00 53.31 C ATOM 211 C ILE A 13 -1.327 -4.580 -4.690 1.00 13.41 C ATOM 212 O ILE A 13 -2.496 -4.820 -4.990 1.00 21.22 O ATOM 213 CB ILE A 13 0.521 -5.719 -5.921 1.00 60.22 C ATOM 214 CG1 ILE A 13 1.026 -5.875 -7.358 1.00 34.24 C ATOM 215 CG2 ILE A 13 -0.348 -6.903 -5.528 1.00 31.15 C ATOM 216 CD1 ILE A 13 0.114 -6.710 -8.231 1.00 12.44 C ATOM 0 H ILE A 13 1.612 -3.524 -5.454 1.00 74.21 H new ATOM 0 HA ILE A 13 -0.750 -4.169 -6.718 1.00 53.31 H new ATOM 0 HB ILE A 13 1.383 -5.689 -5.254 1.00 60.22 H new ATOM 0 HG12 ILE A 13 1.139 -4.887 -7.804 1.00 34.24 H new ATOM 0 HG13 ILE A 13 2.016 -6.331 -7.339 1.00 34.24 H new ATOM 0 HG21 ILE A 13 0.222 -7.826 -5.640 1.00 31.15 H new ATOM 0 HG22 ILE A 13 -0.663 -6.795 -4.490 1.00 31.15 H new ATOM 0 HG23 ILE A 13 -1.227 -6.939 -6.172 1.00 31.15 H new ATOM 0 HD11 ILE A 13 0.534 -6.778 -9.235 1.00 12.44 H new ATOM 0 HD12 ILE A 13 0.021 -7.710 -7.808 1.00 12.44 H new ATOM 0 HD13 ILE A 13 -0.870 -6.244 -8.280 1.00 12.44 H new ATOM 228 N GLN A 14 -0.911 -4.457 -3.434 1.00 54.03 N ATOM 229 CA GLN A 14 -1.828 -4.601 -2.308 1.00 65.35 C ATOM 230 C GLN A 14 -2.187 -3.241 -1.721 1.00 72.05 C ATOM 231 O GLN A 14 -3.280 -3.055 -1.183 1.00 5.50 O ATOM 232 CB GLN A 14 -1.206 -5.489 -1.229 1.00 3.44 C ATOM 233 CG GLN A 14 -0.187 -6.480 -1.767 1.00 34.41 C ATOM 234 CD GLN A 14 0.695 -7.059 -0.679 1.00 61.03 C ATOM 235 OE1 GLN A 14 0.210 -7.472 0.375 1.00 45.01 O ATOM 236 NE2 GLN A 14 1.999 -7.094 -0.929 1.00 33.01 N ATOM 0 H GLN A 14 0.054 -4.258 -3.170 1.00 54.03 H new ATOM 0 HA GLN A 14 -2.742 -5.070 -2.673 1.00 65.35 H new ATOM 0 HB2 GLN A 14 -0.726 -4.856 -0.483 1.00 3.44 H new ATOM 0 HB3 GLN A 14 -1.999 -6.037 -0.720 1.00 3.44 H new ATOM 0 HG2 GLN A 14 -0.708 -7.290 -2.277 1.00 34.41 H new ATOM 0 HG3 GLN A 14 0.438 -5.985 -2.511 1.00 34.41 H new ATOM 0 HE21 GLN A 14 2.358 -6.741 -1.816 1.00 33.01 H new ATOM 0 HE22 GLN A 14 2.642 -7.474 -0.234 1.00 33.01 H new ATOM 245 N HIS A 15 -1.263 -2.292 -1.829 1.00 2.30 N ATOM 246 CA HIS A 15 -1.484 -0.947 -1.308 1.00 25.21 C ATOM 247 C HIS A 15 -2.118 -0.052 -2.367 1.00 62.34 C ATOM 248 O HIS A 15 -2.501 1.084 -2.085 1.00 43.22 O ATOM 249 CB HIS A 15 -0.163 -0.339 -0.833 1.00 73.25 C ATOM 250 CG HIS A 15 0.326 -0.908 0.463 1.00 42.14 C ATOM 251 ND1 HIS A 15 1.478 -1.551 0.769 1.00 74.13 N flip ATOM 252 CD2 HIS A 15 -0.401 -0.850 1.633 1.00 52.24 C flip ATOM 253 CE1 HIS A 15 1.426 -1.865 2.105 1.00 42.53 C flip ATOM 254 NE2 HIS A 15 0.282 -1.431 2.603 1.00 44.11 N flip ATOM 0 H HIS A 15 -0.355 -2.429 -2.272 1.00 2.30 H new ATOM 0 HA HIS A 15 -2.168 -1.019 -0.462 1.00 25.21 H new ATOM 0 HB2 HIS A 15 0.596 -0.496 -1.599 1.00 73.25 H new ATOM 0 HB3 HIS A 15 -0.287 0.738 -0.724 1.00 73.25 H new ATOM 0 HD1 HIS A 15 2.242 -1.763 0.127 1.00 74.13 H new ATOM 0 HD2 HIS A 15 -1.377 -0.400 1.740 1.00 52.24 H new ATOM 0 HE1 HIS A 15 2.195 -2.383 2.659 1.00 42.53 H new ATOM 263 N ILE A 16 -2.225 -0.571 -3.586 1.00 75.02 N ATOM 264 CA ILE A 16 -2.814 0.182 -4.687 1.00 50.41 C ATOM 265 C ILE A 16 -3.687 -0.713 -5.561 1.00 12.50 C ATOM 266 O ILE A 16 -3.318 -1.846 -5.868 1.00 61.53 O ATOM 267 CB ILE A 16 -1.730 0.838 -5.563 1.00 72.45 C ATOM 268 CG1 ILE A 16 -1.464 2.271 -5.097 1.00 75.30 C ATOM 269 CG2 ILE A 16 -2.150 0.820 -7.026 1.00 3.44 C ATOM 270 CD1 ILE A 16 -0.034 2.718 -5.305 1.00 12.33 C ATOM 0 H ILE A 16 -1.912 -1.509 -3.836 1.00 75.02 H new ATOM 0 HA ILE A 16 -3.431 0.962 -4.242 1.00 50.41 H new ATOM 0 HB ILE A 16 -0.807 0.267 -5.462 1.00 72.45 H new ATOM 0 HG12 ILE A 16 -2.129 2.948 -5.633 1.00 75.30 H new ATOM 0 HG13 ILE A 16 -1.711 2.352 -4.039 1.00 75.30 H new ATOM 0 HG21 ILE A 16 -1.374 1.287 -7.633 1.00 3.44 H new ATOM 0 HG22 ILE A 16 -2.294 -0.211 -7.351 1.00 3.44 H new ATOM 0 HG23 ILE A 16 -3.083 1.371 -7.143 1.00 3.44 H new ATOM 0 HD11 ILE A 16 0.082 3.743 -4.952 1.00 12.33 H new ATOM 0 HD12 ILE A 16 0.636 2.064 -4.747 1.00 12.33 H new ATOM 0 HD13 ILE A 16 0.212 2.670 -6.366 1.00 12.33 H new ATOM 282 N SER A 17 -4.844 -0.194 -5.959 1.00 1.32 N ATOM 283 CA SER A 17 -5.771 -0.947 -6.796 1.00 41.24 C ATOM 284 C SER A 17 -6.914 -0.058 -7.276 1.00 21.22 C ATOM 285 O SER A 17 -7.818 0.277 -6.509 1.00 54.21 O ATOM 286 CB SER A 17 -6.328 -2.145 -6.027 1.00 43.00 C ATOM 287 OG SER A 17 -7.327 -1.741 -5.108 1.00 0.23 O ATOM 0 H SER A 17 -5.162 0.744 -5.716 1.00 1.32 H new ATOM 0 HA SER A 17 -5.225 -1.308 -7.667 1.00 41.24 H new ATOM 0 HB2 SER A 17 -6.745 -2.869 -6.727 1.00 43.00 H new ATOM 0 HB3 SER A 17 -5.520 -2.646 -5.494 1.00 43.00 H new ATOM 0 HG SER A 17 -7.497 -0.781 -5.210 1.00 0.23 H new ATOM 293 N LEU A 18 -6.869 0.320 -8.548 1.00 61.43 N ATOM 294 CA LEU A 18 -7.901 1.170 -9.132 1.00 4.50 C ATOM 295 C LEU A 18 -9.292 0.625 -8.824 1.00 50.51 C ATOM 296 O LEU A 18 -10.146 1.338 -8.296 1.00 42.24 O ATOM 297 CB LEU A 18 -7.706 1.277 -10.645 1.00 2.43 C ATOM 298 CG LEU A 18 -6.265 1.166 -11.146 1.00 51.51 C ATOM 299 CD1 LEU A 18 -6.184 1.528 -12.620 1.00 42.43 C ATOM 300 CD2 LEU A 18 -5.346 2.057 -10.323 1.00 65.11 C ATOM 0 H LEU A 18 -6.128 0.051 -9.196 1.00 61.43 H new ATOM 0 HA LEU A 18 -7.813 2.163 -8.690 1.00 4.50 H new ATOM 0 HB2 LEU A 18 -8.297 0.496 -11.123 1.00 2.43 H new ATOM 0 HB3 LEU A 18 -8.112 2.232 -10.977 1.00 2.43 H new ATOM 0 HG LEU A 18 -5.937 0.133 -11.029 1.00 51.51 H new ATOM 0 HD11 LEU A 18 -5.152 1.443 -12.959 1.00 42.43 H new ATOM 0 HD12 LEU A 18 -6.812 0.849 -13.196 1.00 42.43 H new ATOM 0 HD13 LEU A 18 -6.530 2.552 -12.763 1.00 42.43 H new ATOM 0 HD21 LEU A 18 -4.325 1.966 -10.692 1.00 65.11 H new ATOM 0 HD22 LEU A 18 -5.672 3.094 -10.408 1.00 65.11 H new ATOM 0 HD23 LEU A 18 -5.382 1.750 -9.278 1.00 65.11 H new ATOM 312 N ASN A 19 -9.513 -0.643 -9.155 1.00 55.12 N ATOM 313 CA ASN A 19 -10.800 -1.283 -8.913 1.00 53.23 C ATOM 314 C ASN A 19 -10.669 -2.392 -7.873 1.00 55.41 C ATOM 315 O ASN A 19 -10.547 -3.572 -8.200 1.00 63.31 O ATOM 316 CB ASN A 19 -11.363 -1.854 -10.216 1.00 71.13 C ATOM 317 CG ASN A 19 -10.272 -2.274 -11.181 1.00 62.11 C ATOM 318 OD1 ASN A 19 -9.631 -1.297 -11.813 1.00 4.21 O flip ATOM 319 ND2 ASN A 19 -10.007 -3.464 -11.357 1.00 13.34 N flip ATOM 0 H ASN A 19 -8.817 -1.247 -9.592 1.00 55.12 H new ATOM 0 HA ASN A 19 -11.486 -0.528 -8.529 1.00 53.23 H new ATOM 0 HB2 ASN A 19 -11.995 -2.713 -9.990 1.00 71.13 H new ATOM 0 HB3 ASN A 19 -11.998 -1.107 -10.692 1.00 71.13 H new ATOM 0 HD21 ASN A 19 -10.525 -4.182 -10.850 1.00 13.34 H new ATOM 0 HD22 ASN A 19 -9.270 -3.731 -12.009 1.00 13.34 H new ATOM 326 N PRO A 20 -10.696 -2.004 -6.589 1.00 72.51 N ATOM 327 CA PRO A 20 -10.583 -2.950 -5.475 1.00 22.13 C ATOM 328 C PRO A 20 -11.819 -3.834 -5.337 1.00 44.44 C ATOM 329 O PRO A 20 -12.894 -3.382 -4.941 1.00 44.13 O ATOM 330 CB PRO A 20 -10.437 -2.042 -4.252 1.00 65.33 C ATOM 331 CG PRO A 20 -11.087 -0.762 -4.650 1.00 30.20 C ATOM 332 CD PRO A 20 -10.840 -0.614 -6.126 1.00 72.44 C ATOM 0 HA PRO A 20 -9.752 -3.642 -5.611 1.00 22.13 H new ATOM 0 HB2 PRO A 20 -10.921 -2.476 -3.377 1.00 65.33 H new ATOM 0 HB3 PRO A 20 -9.389 -1.890 -3.995 1.00 65.33 H new ATOM 0 HG2 PRO A 20 -12.155 -0.783 -4.433 1.00 30.20 H new ATOM 0 HG3 PRO A 20 -10.666 0.078 -4.098 1.00 30.20 H new ATOM 0 HD2 PRO A 20 -11.668 -0.109 -6.623 1.00 72.44 H new ATOM 0 HD3 PRO A 20 -9.943 -0.029 -6.327 1.00 72.44 H new ATOM 340 N PRO A 21 -11.665 -5.124 -5.669 1.00 62.23 N ATOM 341 CA PRO A 21 -12.757 -6.099 -5.589 1.00 51.41 C ATOM 342 C PRO A 21 -13.148 -6.414 -4.149 1.00 63.22 C ATOM 343 O PRO A 21 -12.830 -5.659 -3.231 1.00 34.22 O ATOM 344 CB PRO A 21 -12.176 -7.340 -6.271 1.00 24.31 C ATOM 345 CG PRO A 21 -10.702 -7.207 -6.107 1.00 4.01 C ATOM 346 CD PRO A 21 -10.411 -5.732 -6.148 1.00 34.50 C ATOM 0 HA PRO A 21 -13.670 -5.729 -6.056 1.00 51.41 H new ATOM 0 HB2 PRO A 21 -12.545 -8.255 -5.808 1.00 24.31 H new ATOM 0 HB3 PRO A 21 -12.455 -7.380 -7.324 1.00 24.31 H new ATOM 0 HG2 PRO A 21 -10.374 -7.643 -5.164 1.00 4.01 H new ATOM 0 HG3 PRO A 21 -10.172 -7.731 -6.902 1.00 4.01 H new ATOM 0 HD2 PRO A 21 -9.568 -5.471 -5.509 1.00 34.50 H new ATOM 0 HD3 PRO A 21 -10.162 -5.399 -7.156 1.00 34.50 H new ATOM 354 N ARG A 22 -13.837 -7.535 -3.961 1.00 14.31 N ATOM 355 CA ARG A 22 -14.272 -7.950 -2.632 1.00 43.03 C ATOM 356 C ARG A 22 -13.072 -8.234 -1.732 1.00 75.14 C ATOM 357 O ARG A 22 -12.303 -9.163 -1.981 1.00 11.41 O ATOM 358 CB ARG A 22 -15.158 -9.193 -2.727 1.00 63.32 C ATOM 359 CG ARG A 22 -16.519 -8.925 -3.348 1.00 71.12 C ATOM 360 CD ARG A 22 -17.495 -8.362 -2.327 1.00 40.22 C ATOM 361 NE ARG A 22 -18.849 -8.256 -2.865 1.00 21.34 N ATOM 362 CZ ARG A 22 -19.268 -7.238 -3.607 1.00 74.24 C ATOM 363 NH1 ARG A 22 -18.443 -6.244 -3.900 1.00 43.54 N ATOM 364 NH2 ARG A 22 -20.515 -7.215 -4.060 1.00 13.31 N ATOM 0 H ARG A 22 -14.106 -8.172 -4.711 1.00 14.31 H new ATOM 0 HA ARG A 22 -14.848 -7.135 -2.194 1.00 43.03 H new ATOM 0 HB2 ARG A 22 -14.643 -9.952 -3.316 1.00 63.32 H new ATOM 0 HB3 ARG A 22 -15.299 -9.606 -1.728 1.00 63.32 H new ATOM 0 HG2 ARG A 22 -16.411 -8.224 -4.175 1.00 71.12 H new ATOM 0 HG3 ARG A 22 -16.919 -9.850 -3.764 1.00 71.12 H new ATOM 0 HD2 ARG A 22 -17.505 -9.001 -1.444 1.00 40.22 H new ATOM 0 HD3 ARG A 22 -17.155 -7.378 -2.005 1.00 40.22 H new ATOM 0 HE ARG A 22 -19.509 -9.006 -2.659 1.00 21.34 H new ATOM 0 HH11 ARG A 22 -17.483 -6.259 -3.555 1.00 43.54 H new ATOM 0 HH12 ARG A 22 -18.768 -5.463 -4.470 1.00 43.54 H new ATOM 0 HH21 ARG A 22 -21.152 -7.980 -3.838 1.00 13.31 H new ATOM 0 HH22 ARG A 22 -20.836 -6.432 -4.630 1.00 13.31 H new ATOM 378 N CYS A 23 -12.919 -7.429 -0.687 1.00 14.12 N ATOM 379 CA CYS A 23 -11.815 -7.592 0.250 1.00 51.12 C ATOM 380 C CYS A 23 -11.507 -9.069 0.476 1.00 41.21 C ATOM 381 O CYS A 23 -10.373 -9.440 0.783 1.00 11.24 O ATOM 382 CB CYS A 23 -12.146 -6.918 1.583 1.00 2.14 C ATOM 383 SG CYS A 23 -11.618 -5.178 1.689 1.00 62.22 S ATOM 0 H CYS A 23 -13.547 -6.656 -0.467 1.00 14.12 H new ATOM 0 HA CYS A 23 -10.933 -7.117 -0.180 1.00 51.12 H new ATOM 0 HB2 CYS A 23 -13.222 -6.970 1.747 1.00 2.14 H new ATOM 0 HB3 CYS A 23 -11.673 -7.480 2.389 1.00 2.14 H new ATOM 388 N THR A 24 -12.525 -9.911 0.321 1.00 53.11 N ATOM 389 CA THR A 24 -12.365 -11.347 0.509 1.00 44.01 C ATOM 390 C THR A 24 -11.437 -11.939 -0.545 1.00 72.55 C ATOM 391 O THR A 24 -10.493 -12.661 -0.222 1.00 11.32 O ATOM 392 CB THR A 24 -13.721 -12.076 0.451 1.00 4.33 C ATOM 393 OG1 THR A 24 -14.415 -11.917 1.693 1.00 3.53 O ATOM 394 CG2 THR A 24 -13.526 -13.556 0.158 1.00 74.44 C ATOM 0 H THR A 24 -13.469 -9.622 0.066 1.00 53.11 H new ATOM 0 HA THR A 24 -11.927 -11.490 1.497 1.00 44.01 H new ATOM 0 HB THR A 24 -14.312 -11.637 -0.353 1.00 4.33 H new ATOM 0 HG1 THR A 24 -15.277 -12.382 1.648 1.00 3.53 H new ATOM 0 HG21 THR A 24 -14.497 -14.051 0.122 1.00 74.44 H new ATOM 0 HG22 THR A 24 -13.023 -13.674 -0.802 1.00 74.44 H new ATOM 0 HG23 THR A 24 -12.919 -14.006 0.944 1.00 74.44 H new ATOM 402 N ILE A 25 -11.710 -11.629 -1.809 1.00 52.01 N ATOM 403 CA ILE A 25 -10.898 -12.129 -2.911 1.00 25.43 C ATOM 404 C ILE A 25 -9.700 -11.222 -3.167 1.00 70.54 C ATOM 405 O ILE A 25 -8.597 -11.695 -3.438 1.00 4.01 O ATOM 406 CB ILE A 25 -11.721 -12.253 -4.207 1.00 14.34 C ATOM 407 CG1 ILE A 25 -13.181 -12.576 -3.881 1.00 2.12 C ATOM 408 CG2 ILE A 25 -11.126 -13.319 -5.113 1.00 61.24 C ATOM 409 CD1 ILE A 25 -14.027 -12.851 -5.104 1.00 50.04 C ATOM 0 H ILE A 25 -12.488 -11.034 -2.094 1.00 52.01 H new ATOM 0 HA ILE A 25 -10.546 -13.118 -2.619 1.00 25.43 H new ATOM 0 HB ILE A 25 -11.689 -11.299 -4.733 1.00 14.34 H new ATOM 0 HG12 ILE A 25 -13.214 -13.445 -3.223 1.00 2.12 H new ATOM 0 HG13 ILE A 25 -13.615 -11.742 -3.329 1.00 2.12 H new ATOM 0 HG21 ILE A 25 -11.719 -13.394 -6.024 1.00 61.24 H new ATOM 0 HG22 ILE A 25 -10.101 -13.049 -5.368 1.00 61.24 H new ATOM 0 HG23 ILE A 25 -11.131 -14.279 -4.597 1.00 61.24 H new ATOM 0 HD11 ILE A 25 -15.049 -13.072 -4.797 1.00 50.04 H new ATOM 0 HD12 ILE A 25 -14.024 -11.975 -5.753 1.00 50.04 H new ATOM 0 HD13 ILE A 25 -13.618 -13.704 -5.645 1.00 50.04 H new ATOM 421 N ALA A 26 -9.925 -9.915 -3.078 1.00 4.45 N ATOM 422 CA ALA A 26 -8.862 -8.941 -3.296 1.00 12.53 C ATOM 423 C ALA A 26 -7.553 -9.407 -2.668 1.00 0.54 C ATOM 424 O ALA A 26 -6.473 -9.144 -3.196 1.00 23.40 O ATOM 425 CB ALA A 26 -9.266 -7.586 -2.736 1.00 13.31 C ATOM 0 H ALA A 26 -10.833 -9.506 -2.857 1.00 4.45 H new ATOM 0 HA ALA A 26 -8.705 -8.846 -4.370 1.00 12.53 H new ATOM 0 HB1 ALA A 26 -8.463 -6.868 -2.905 1.00 13.31 H new ATOM 0 HB2 ALA A 26 -10.172 -7.242 -3.235 1.00 13.31 H new ATOM 0 HB3 ALA A 26 -9.453 -7.676 -1.666 1.00 13.31 H new ATOM 431 N MET A 27 -7.657 -10.097 -1.537 1.00 13.31 N ATOM 432 CA MET A 27 -6.481 -10.598 -0.837 1.00 24.22 C ATOM 433 C MET A 27 -6.112 -11.996 -1.325 1.00 40.01 C ATOM 434 O MET A 27 -5.564 -12.802 -0.573 1.00 14.11 O ATOM 435 CB MET A 27 -6.730 -10.622 0.672 1.00 2.25 C ATOM 436 CG MET A 27 -7.887 -11.516 1.084 1.00 75.53 C ATOM 437 SD MET A 27 -7.765 -12.069 2.795 1.00 24.11 S ATOM 438 CE MET A 27 -6.082 -12.680 2.833 1.00 24.14 C ATOM 0 H MET A 27 -8.544 -10.322 -1.086 1.00 13.31 H new ATOM 0 HA MET A 27 -5.649 -9.926 -1.050 1.00 24.22 H new ATOM 0 HB2 MET A 27 -5.824 -10.959 1.176 1.00 2.25 H new ATOM 0 HB3 MET A 27 -6.927 -9.606 1.015 1.00 2.25 H new ATOM 0 HG2 MET A 27 -8.824 -10.976 0.947 1.00 75.53 H new ATOM 0 HG3 MET A 27 -7.921 -12.385 0.427 1.00 75.53 H new ATOM 0 HE1 MET A 27 -6.028 -13.557 3.478 1.00 24.14 H new ATOM 0 HE2 MET A 27 -5.771 -12.951 1.824 1.00 24.14 H new ATOM 0 HE3 MET A 27 -5.422 -11.904 3.220 1.00 24.14 H new ATOM 448 N ARG A 28 -6.418 -12.276 -2.588 1.00 42.01 N ATOM 449 CA ARG A 28 -6.119 -13.577 -3.175 1.00 54.11 C ATOM 450 C ARG A 28 -4.681 -13.629 -3.680 1.00 71.53 C ATOM 451 O ARG A 28 -3.813 -14.232 -3.050 1.00 52.40 O ATOM 452 CB ARG A 28 -7.086 -13.875 -4.323 1.00 40.15 C ATOM 453 CG ARG A 28 -8.308 -14.673 -3.899 1.00 31.21 C ATOM 454 CD ARG A 28 -8.810 -15.563 -5.026 1.00 1.34 C ATOM 455 NE ARG A 28 -9.835 -16.498 -4.568 1.00 44.33 N ATOM 456 CZ ARG A 28 -10.195 -17.581 -5.247 1.00 35.11 C ATOM 457 NH1 ARG A 28 -9.619 -17.865 -6.407 1.00 13.53 N ATOM 458 NH2 ARG A 28 -11.136 -18.384 -4.765 1.00 71.01 N ATOM 0 H ARG A 28 -6.872 -11.620 -3.224 1.00 42.01 H new ATOM 0 HA ARG A 28 -6.240 -14.334 -2.400 1.00 54.11 H new ATOM 0 HB2 ARG A 28 -7.413 -12.934 -4.765 1.00 40.15 H new ATOM 0 HB3 ARG A 28 -6.555 -14.425 -5.100 1.00 40.15 H new ATOM 0 HG2 ARG A 28 -8.061 -15.286 -3.032 1.00 31.21 H new ATOM 0 HG3 ARG A 28 -9.101 -13.991 -3.592 1.00 31.21 H new ATOM 0 HD2 ARG A 28 -9.216 -14.942 -5.825 1.00 1.34 H new ATOM 0 HD3 ARG A 28 -7.974 -16.120 -5.449 1.00 1.34 H new ATOM 0 HE ARG A 28 -10.299 -16.309 -3.679 1.00 44.33 H new ATOM 0 HH11 ARG A 28 -8.896 -17.251 -6.781 1.00 13.53 H new ATOM 0 HH12 ARG A 28 -9.899 -18.698 -6.925 1.00 13.53 H new ATOM 0 HH21 ARG A 28 -11.582 -18.169 -3.873 1.00 71.01 H new ATOM 0 HH22 ARG A 28 -11.413 -19.216 -5.286 1.00 71.01 H new ATOM 472 N ALA A 29 -4.436 -12.994 -4.821 1.00 52.45 N ATOM 473 CA ALA A 29 -3.103 -12.967 -5.410 1.00 54.11 C ATOM 474 C ALA A 29 -2.107 -12.279 -4.483 1.00 0.33 C ATOM 475 O ALA A 29 -0.917 -12.594 -4.491 1.00 41.11 O ATOM 476 CB ALA A 29 -3.137 -12.268 -6.761 1.00 74.11 C ATOM 0 H ALA A 29 -5.144 -12.491 -5.356 1.00 52.45 H new ATOM 0 HA ALA A 29 -2.776 -13.997 -5.553 1.00 54.11 H new ATOM 0 HB1 ALA A 29 -2.135 -12.255 -7.189 1.00 74.11 H new ATOM 0 HB2 ALA A 29 -3.811 -12.803 -7.430 1.00 74.11 H new ATOM 0 HB3 ALA A 29 -3.490 -11.245 -6.632 1.00 74.11 H new ATOM 482 N ILE A 30 -2.602 -11.338 -3.684 1.00 62.14 N ATOM 483 CA ILE A 30 -1.754 -10.607 -2.751 1.00 14.22 C ATOM 484 C ILE A 30 -1.200 -11.531 -1.672 1.00 44.42 C ATOM 485 O ILE A 30 -0.019 -11.874 -1.682 1.00 45.30 O ATOM 486 CB ILE A 30 -2.522 -9.454 -2.077 1.00 42.13 C ATOM 487 CG1 ILE A 30 -2.716 -8.299 -3.062 1.00 3.35 C ATOM 488 CG2 ILE A 30 -1.784 -8.980 -0.835 1.00 11.14 C ATOM 489 CD1 ILE A 30 -3.874 -8.503 -4.013 1.00 72.01 C ATOM 0 H ILE A 30 -3.585 -11.065 -3.665 1.00 62.14 H new ATOM 0 HA ILE A 30 -0.929 -10.194 -3.332 1.00 14.22 H new ATOM 0 HB ILE A 30 -3.504 -9.818 -1.774 1.00 42.13 H new ATOM 0 HG12 ILE A 30 -2.875 -7.377 -2.502 1.00 3.35 H new ATOM 0 HG13 ILE A 30 -1.801 -8.167 -3.640 1.00 3.35 H new ATOM 0 HG21 ILE A 30 -2.339 -8.165 -0.370 1.00 11.14 H new ATOM 0 HG22 ILE A 30 -1.692 -9.805 -0.129 1.00 11.14 H new ATOM 0 HG23 ILE A 30 -0.790 -8.629 -1.114 1.00 11.14 H new ATOM 0 HD11 ILE A 30 -3.951 -7.645 -4.681 1.00 72.01 H new ATOM 0 HD12 ILE A 30 -3.708 -9.407 -4.600 1.00 72.01 H new ATOM 0 HD13 ILE A 30 -4.798 -8.604 -3.444 1.00 72.01 H new ATOM 501 N ASN A 31 -2.061 -11.931 -0.743 1.00 60.41 N ATOM 502 CA ASN A 31 -1.658 -12.818 0.342 1.00 4.53 C ATOM 503 C ASN A 31 -0.784 -13.955 -0.179 1.00 12.13 C ATOM 504 O ASN A 31 -0.025 -14.562 0.574 1.00 63.45 O ATOM 505 CB ASN A 31 -2.890 -13.388 1.048 1.00 5.22 C ATOM 506 CG ASN A 31 -3.332 -12.535 2.221 1.00 4.40 C ATOM 507 OD1 ASN A 31 -3.545 -13.039 3.324 1.00 13.20 O ATOM 508 ND2 ASN A 31 -3.470 -11.235 1.988 1.00 10.22 N ATOM 0 H ASN A 31 -3.043 -11.655 -0.719 1.00 60.41 H new ATOM 0 HA ASN A 31 -1.076 -12.235 1.056 1.00 4.53 H new ATOM 0 HB2 ASN A 31 -3.709 -13.470 0.333 1.00 5.22 H new ATOM 0 HB3 ASN A 31 -2.670 -14.396 1.398 1.00 5.22 H new ATOM 0 HD21 ASN A 31 -3.763 -10.611 2.739 1.00 10.22 H new ATOM 0 HD22 ASN A 31 -3.283 -10.861 1.058 1.00 10.22 H new ATOM 515 N ASN A 32 -0.899 -14.236 -1.473 1.00 53.44 N ATOM 516 CA ASN A 32 -0.121 -15.299 -2.097 1.00 4.34 C ATOM 517 C ASN A 32 1.370 -15.112 -1.826 1.00 64.35 C ATOM 518 O ASN A 32 2.168 -16.029 -2.026 1.00 13.35 O ATOM 519 CB ASN A 32 -0.377 -15.332 -3.604 1.00 12.02 C ATOM 520 CG ASN A 32 0.109 -16.617 -4.246 1.00 73.22 C ATOM 521 OD1 ASN A 32 1.048 -17.250 -3.762 1.00 52.20 O ATOM 522 ND2 ASN A 32 -0.530 -17.009 -5.342 1.00 22.32 N ATOM 0 H ASN A 32 -1.524 -13.742 -2.110 1.00 53.44 H new ATOM 0 HA ASN A 32 -0.436 -16.248 -1.663 1.00 4.34 H new ATOM 0 HB2 ASN A 32 -1.445 -15.217 -3.791 1.00 12.02 H new ATOM 0 HB3 ASN A 32 0.122 -14.484 -4.073 1.00 12.02 H new ATOM 0 HD21 ASN A 32 -0.248 -17.866 -5.818 1.00 22.32 H new ATOM 0 HD22 ASN A 32 -1.303 -16.453 -5.708 1.00 22.32 H new ATOM 529 N TYR A 33 1.738 -13.919 -1.373 1.00 34.25 N ATOM 530 CA TYR A 33 3.132 -13.610 -1.078 1.00 33.23 C ATOM 531 C TYR A 33 3.632 -14.428 0.109 1.00 13.05 C ATOM 532 O TYR A 33 4.833 -14.638 0.271 1.00 42.53 O ATOM 533 CB TYR A 33 3.295 -12.118 -0.787 1.00 53.43 C ATOM 534 CG TYR A 33 2.469 -11.635 0.383 1.00 53.24 C ATOM 535 CD1 TYR A 33 2.705 -12.107 1.668 1.00 74.13 C ATOM 536 CD2 TYR A 33 1.451 -10.704 0.203 1.00 25.14 C ATOM 537 CE1 TYR A 33 1.951 -11.668 2.740 1.00 44.42 C ATOM 538 CE2 TYR A 33 0.694 -10.259 1.270 1.00 71.14 C ATOM 539 CZ TYR A 33 0.947 -10.744 2.535 1.00 43.11 C ATOM 540 OH TYR A 33 0.196 -10.305 3.600 1.00 12.51 O ATOM 0 H TYR A 33 1.090 -13.150 -1.202 1.00 34.25 H new ATOM 0 HA TYR A 33 3.728 -13.870 -1.953 1.00 33.23 H new ATOM 0 HB2 TYR A 33 4.346 -11.908 -0.590 1.00 53.43 H new ATOM 0 HB3 TYR A 33 3.017 -11.551 -1.675 1.00 53.43 H new ATOM 0 HD1 TYR A 33 3.491 -12.829 1.832 1.00 74.13 H new ATOM 0 HD2 TYR A 33 1.249 -10.323 -0.787 1.00 25.14 H new ATOM 0 HE1 TYR A 33 2.147 -12.046 3.733 1.00 44.42 H new ATOM 0 HE2 TYR A 33 -0.092 -9.535 1.113 1.00 71.14 H new ATOM 0 HH TYR A 33 -0.468 -9.656 3.287 1.00 12.51 H new ATOM 550 N ARG A 34 2.699 -14.888 0.937 1.00 71.22 N ATOM 551 CA ARG A 34 3.043 -15.684 2.110 1.00 52.54 C ATOM 552 C ARG A 34 1.922 -16.660 2.452 1.00 13.20 C ATOM 553 O ARG A 34 0.907 -16.724 1.758 1.00 15.42 O ATOM 554 CB ARG A 34 3.323 -14.771 3.306 1.00 32.54 C ATOM 555 CG ARG A 34 4.748 -14.247 3.351 1.00 44.52 C ATOM 556 CD ARG A 34 4.868 -13.038 4.266 1.00 20.02 C ATOM 557 NE ARG A 34 6.225 -12.873 4.779 1.00 3.41 N ATOM 558 CZ ARG A 34 6.827 -13.756 5.568 1.00 31.33 C ATOM 559 NH1 ARG A 34 6.193 -14.862 5.933 1.00 73.41 N ATOM 560 NH2 ARG A 34 8.064 -13.535 5.994 1.00 52.12 N ATOM 0 H ARG A 34 1.700 -14.723 0.817 1.00 71.22 H new ATOM 0 HA ARG A 34 3.941 -16.257 1.880 1.00 52.54 H new ATOM 0 HB2 ARG A 34 2.635 -13.926 3.276 1.00 32.54 H new ATOM 0 HB3 ARG A 34 3.117 -15.318 4.226 1.00 32.54 H new ATOM 0 HG2 ARG A 34 5.416 -15.035 3.698 1.00 44.52 H new ATOM 0 HG3 ARG A 34 5.070 -13.977 2.345 1.00 44.52 H new ATOM 0 HD2 ARG A 34 4.575 -12.141 3.721 1.00 20.02 H new ATOM 0 HD3 ARG A 34 4.175 -13.145 5.101 1.00 20.02 H new ATOM 0 HE ARG A 34 6.740 -12.032 4.517 1.00 3.41 H new ATOM 0 HH11 ARG A 34 5.242 -15.036 5.608 1.00 73.41 H new ATOM 0 HH12 ARG A 34 6.656 -15.539 6.539 1.00 73.41 H new ATOM 0 HH21 ARG A 34 8.555 -12.685 5.716 1.00 52.12 H new ATOM 0 HH22 ARG A 34 8.524 -14.215 6.600 1.00 52.12 H new ATOM 574 N TRP A 35 2.113 -17.419 3.525 1.00 50.31 N ATOM 575 CA TRP A 35 1.119 -18.394 3.959 1.00 12.41 C ATOM 576 C TRP A 35 0.151 -17.773 4.962 1.00 32.41 C ATOM 577 O TRP A 35 -0.812 -18.413 5.386 1.00 32.00 O ATOM 578 CB TRP A 35 1.804 -19.611 4.580 1.00 4.03 C ATOM 579 CG TRP A 35 1.018 -20.878 4.427 1.00 42.21 C ATOM 580 CD1 TRP A 35 0.089 -21.376 5.295 1.00 30.43 C ATOM 581 CD2 TRP A 35 1.094 -21.808 3.340 1.00 5.25 C ATOM 582 NE1 TRP A 35 -0.417 -22.560 4.814 1.00 13.31 N ATOM 583 CE2 TRP A 35 0.183 -22.846 3.617 1.00 73.14 C ATOM 584 CE3 TRP A 35 1.842 -21.864 2.161 1.00 4.32 C ATOM 585 CZ2 TRP A 35 0.002 -23.925 2.755 1.00 3.21 C ATOM 586 CZ3 TRP A 35 1.663 -22.936 1.309 1.00 33.12 C ATOM 587 CH2 TRP A 35 0.747 -23.955 1.608 1.00 43.43 C ATOM 0 H TRP A 35 2.947 -17.378 4.111 1.00 50.31 H new ATOM 0 HA TRP A 35 0.553 -18.713 3.084 1.00 12.41 H new ATOM 0 HB2 TRP A 35 2.783 -19.742 4.120 1.00 4.03 H new ATOM 0 HB3 TRP A 35 1.973 -19.422 5.640 1.00 4.03 H new ATOM 0 HD1 TRP A 35 -0.205 -20.908 6.223 1.00 30.43 H new ATOM 0 HE1 TRP A 35 -1.125 -23.133 5.274 1.00 13.31 H new ATOM 0 HE3 TRP A 35 2.548 -21.083 1.920 1.00 4.32 H new ATOM 0 HZ2 TRP A 35 -0.702 -24.711 2.984 1.00 3.21 H new ATOM 0 HZ3 TRP A 35 2.238 -22.991 0.397 1.00 33.12 H new ATOM 0 HH2 TRP A 35 0.628 -24.779 0.920 1.00 43.43 H new ATOM 598 N ARG A 36 0.413 -16.525 5.336 1.00 24.32 N ATOM 599 CA ARG A 36 -0.435 -15.820 6.291 1.00 62.43 C ATOM 600 C ARG A 36 -1.048 -14.576 5.656 1.00 31.20 C ATOM 601 O ARG A 36 -0.791 -14.268 4.491 1.00 2.03 O ATOM 602 CB ARG A 36 0.371 -15.430 7.530 1.00 40.45 C ATOM 603 CG ARG A 36 0.376 -16.494 8.615 1.00 12.11 C ATOM 604 CD ARG A 36 1.363 -17.606 8.300 1.00 25.24 C ATOM 605 NE ARG A 36 2.737 -17.116 8.234 1.00 11.31 N ATOM 606 CZ ARG A 36 3.803 -17.911 8.233 1.00 15.25 C ATOM 607 NH1 ARG A 36 3.652 -19.226 8.294 1.00 33.44 N ATOM 608 NH2 ARG A 36 5.021 -17.389 8.172 1.00 61.33 N ATOM 0 H ARG A 36 1.205 -15.981 4.993 1.00 24.32 H new ATOM 0 HA ARG A 36 -1.241 -16.490 6.588 1.00 62.43 H new ATOM 0 HB2 ARG A 36 1.399 -15.221 7.233 1.00 40.45 H new ATOM 0 HB3 ARG A 36 -0.036 -14.506 7.941 1.00 40.45 H new ATOM 0 HG2 ARG A 36 0.633 -16.039 9.571 1.00 12.11 H new ATOM 0 HG3 ARG A 36 -0.625 -16.913 8.720 1.00 12.11 H new ATOM 0 HD2 ARG A 36 1.291 -18.381 9.063 1.00 25.24 H new ATOM 0 HD3 ARG A 36 1.097 -18.068 7.349 1.00 25.24 H new ATOM 0 HE ARG A 36 2.887 -16.108 8.186 1.00 11.31 H new ATOM 0 HH11 ARG A 36 2.717 -19.630 8.342 1.00 33.44 H new ATOM 0 HH12 ARG A 36 4.471 -19.834 8.293 1.00 33.44 H new ATOM 0 HH21 ARG A 36 5.140 -16.377 8.126 1.00 61.33 H new ATOM 0 HH22 ARG A 36 5.838 -18.000 8.171 1.00 61.33 H new ATOM 622 N CYS A 37 -1.861 -13.864 6.429 1.00 0.40 N ATOM 623 CA CYS A 37 -2.512 -12.653 5.943 1.00 14.21 C ATOM 624 C CYS A 37 -2.146 -11.452 6.812 1.00 63.42 C ATOM 625 O CYS A 37 -1.778 -11.604 7.977 1.00 1.10 O ATOM 626 CB CYS A 37 -4.031 -12.838 5.924 1.00 12.42 C ATOM 627 SG CYS A 37 -4.800 -12.838 7.576 1.00 73.20 S ATOM 0 H CYS A 37 -2.085 -14.105 7.395 1.00 0.40 H new ATOM 0 HA CYS A 37 -2.162 -12.465 4.928 1.00 14.21 H new ATOM 0 HB2 CYS A 37 -4.476 -12.041 5.328 1.00 12.42 H new ATOM 0 HB3 CYS A 37 -4.266 -13.779 5.426 1.00 12.42 H new ATOM 632 N LYS A 38 -2.250 -10.260 6.236 1.00 10.42 N ATOM 633 CA LYS A 38 -1.931 -9.032 6.957 1.00 74.25 C ATOM 634 C LYS A 38 -3.047 -8.668 7.931 1.00 42.11 C ATOM 635 O LYS A 38 -4.208 -9.009 7.715 1.00 34.43 O ATOM 636 CB LYS A 38 -1.706 -7.882 5.971 1.00 25.14 C ATOM 637 CG LYS A 38 -0.262 -7.742 5.522 1.00 2.22 C ATOM 638 CD LYS A 38 0.625 -7.231 6.646 1.00 71.54 C ATOM 639 CE LYS A 38 2.083 -7.164 6.218 1.00 14.03 C ATOM 640 NZ LYS A 38 3.003 -7.140 7.388 1.00 22.32 N ATOM 0 H LYS A 38 -2.552 -10.117 5.272 1.00 10.42 H new ATOM 0 HA LYS A 38 -1.016 -9.201 7.526 1.00 74.25 H new ATOM 0 HB2 LYS A 38 -2.337 -8.036 5.096 1.00 25.14 H new ATOM 0 HB3 LYS A 38 -2.026 -6.949 6.434 1.00 25.14 H new ATOM 0 HG2 LYS A 38 0.108 -8.707 5.176 1.00 2.22 H new ATOM 0 HG3 LYS A 38 -0.208 -7.058 4.675 1.00 2.22 H new ATOM 0 HD2 LYS A 38 0.289 -6.241 6.954 1.00 71.54 H new ATOM 0 HD3 LYS A 38 0.529 -7.885 7.513 1.00 71.54 H new ATOM 0 HE2 LYS A 38 2.317 -8.023 5.589 1.00 14.03 H new ATOM 0 HE3 LYS A 38 2.243 -6.272 5.612 1.00 14.03 H new ATOM 0 HZ1 LYS A 38 3.987 -7.094 7.055 1.00 22.32 H new ATOM 0 HZ2 LYS A 38 2.797 -6.306 7.975 1.00 22.32 H new ATOM 0 HZ3 LYS A 38 2.869 -8.003 7.953 1.00 22.32 H new ATOM 654 N ASN A 39 -2.686 -7.972 9.004 1.00 24.02 N ATOM 655 CA ASN A 39 -3.656 -7.562 10.012 1.00 52.51 C ATOM 656 C ASN A 39 -4.542 -6.436 9.487 1.00 71.30 C ATOM 657 O ASN A 39 -5.660 -6.241 9.962 1.00 11.33 O ATOM 658 CB ASN A 39 -2.940 -7.110 11.286 1.00 35.21 C ATOM 659 CG ASN A 39 -1.618 -7.823 11.491 1.00 64.32 C ATOM 660 OD1 ASN A 39 -0.564 -7.329 11.088 1.00 35.20 O ATOM 661 ND2 ASN A 39 -1.667 -8.992 12.118 1.00 21.34 N ATOM 0 H ASN A 39 -1.728 -7.680 9.198 1.00 24.02 H new ATOM 0 HA ASN A 39 -4.287 -8.420 10.243 1.00 52.51 H new ATOM 0 HB2 ASN A 39 -2.766 -6.035 11.240 1.00 35.21 H new ATOM 0 HB3 ASN A 39 -3.585 -7.292 12.146 1.00 35.21 H new ATOM 0 HD21 ASN A 39 -0.809 -9.519 12.283 1.00 21.34 H new ATOM 0 HD22 ASN A 39 -2.562 -9.364 12.435 1.00 21.34 H new ATOM 668 N GLN A 40 -4.034 -5.702 8.503 1.00 55.42 N ATOM 669 CA GLN A 40 -4.780 -4.595 7.913 1.00 32.04 C ATOM 670 C GLN A 40 -4.023 -3.996 6.733 1.00 31.13 C ATOM 671 O GLN A 40 -2.813 -3.786 6.801 1.00 4.40 O ATOM 672 CB GLN A 40 -5.047 -3.515 8.964 1.00 21.21 C ATOM 673 CG GLN A 40 -6.415 -2.865 8.832 1.00 4.15 C ATOM 674 CD GLN A 40 -6.424 -1.424 9.303 1.00 3.00 C ATOM 675 OE1 GLN A 40 -5.599 -1.022 10.124 1.00 1.32 O ATOM 676 NE2 GLN A 40 -7.358 -0.636 8.783 1.00 23.23 N ATOM 0 H GLN A 40 -3.110 -5.853 8.097 1.00 55.42 H new ATOM 0 HA GLN A 40 -5.732 -4.984 7.551 1.00 32.04 H new ATOM 0 HB2 GLN A 40 -4.957 -3.956 9.957 1.00 21.21 H new ATOM 0 HB3 GLN A 40 -4.279 -2.746 8.886 1.00 21.21 H new ATOM 0 HG2 GLN A 40 -6.733 -2.905 7.790 1.00 4.15 H new ATOM 0 HG3 GLN A 40 -7.142 -3.437 9.409 1.00 4.15 H new ATOM 0 HE21 GLN A 40 -8.022 -1.011 8.105 1.00 23.23 H new ATOM 0 HE22 GLN A 40 -7.411 0.344 9.061 1.00 23.23 H new ATOM 685 N ASN A 41 -4.744 -3.725 5.649 1.00 2.53 N ATOM 686 CA ASN A 41 -4.139 -3.151 4.453 1.00 34.40 C ATOM 687 C ASN A 41 -5.034 -2.069 3.858 1.00 52.33 C ATOM 688 O ASN A 41 -6.209 -1.952 4.211 1.00 4.13 O ATOM 689 CB ASN A 41 -3.881 -4.243 3.413 1.00 30.14 C ATOM 690 CG ASN A 41 -2.677 -3.940 2.544 1.00 44.03 C ATOM 691 OD1 ASN A 41 -2.863 -3.072 1.556 1.00 32.21 O flip ATOM 692 ND2 ASN A 41 -1.590 -4.480 2.758 1.00 21.10 N flip ATOM 0 H ASN A 41 -5.747 -3.894 5.575 1.00 2.53 H new ATOM 0 HA ASN A 41 -3.190 -2.697 4.738 1.00 34.40 H new ATOM 0 HB2 ASN A 41 -3.729 -5.196 3.920 1.00 30.14 H new ATOM 0 HB3 ASN A 41 -4.762 -4.355 2.782 1.00 30.14 H new ATOM 0 HD21 ASN A 41 -1.492 -5.141 3.529 1.00 21.10 H new ATOM 0 HD22 ASN A 41 -0.789 -4.266 2.165 1.00 21.10 H new ATOM 699 N THR A 42 -4.472 -1.277 2.950 1.00 40.32 N ATOM 700 CA THR A 42 -5.217 -0.203 2.305 1.00 32.30 C ATOM 701 C THR A 42 -4.866 -0.102 0.825 1.00 73.33 C ATOM 702 O THR A 42 -3.714 0.140 0.465 1.00 73.45 O ATOM 703 CB THR A 42 -4.944 1.155 2.979 1.00 25.53 C ATOM 704 OG1 THR A 42 -5.400 1.128 4.336 1.00 1.12 O ATOM 705 CG2 THR A 42 -5.635 2.282 2.227 1.00 31.42 C ATOM 0 H THR A 42 -3.502 -1.360 2.645 1.00 40.32 H new ATOM 0 HA THR A 42 -6.274 -0.446 2.410 1.00 32.30 H new ATOM 0 HB THR A 42 -3.869 1.335 2.961 1.00 25.53 H new ATOM 0 HG1 THR A 42 -4.845 1.726 4.879 1.00 1.12 H new ATOM 0 HG21 THR A 42 -5.427 3.231 2.722 1.00 31.42 H new ATOM 0 HG22 THR A 42 -5.263 2.318 1.203 1.00 31.42 H new ATOM 0 HG23 THR A 42 -6.711 2.106 2.216 1.00 31.42 H new ATOM 713 N PHE A 43 -5.868 -0.289 -0.029 1.00 61.13 N ATOM 714 CA PHE A 43 -5.664 -0.219 -1.471 1.00 61.55 C ATOM 715 C PHE A 43 -6.123 1.129 -2.021 1.00 1.23 C ATOM 716 O PHE A 43 -7.321 1.388 -2.143 1.00 5.05 O ATOM 717 CB PHE A 43 -6.421 -1.351 -2.170 1.00 63.43 C ATOM 718 CG PHE A 43 -6.106 -2.712 -1.618 1.00 50.33 C ATOM 719 CD1 PHE A 43 -6.469 -3.051 -0.325 1.00 11.45 C ATOM 720 CD2 PHE A 43 -5.447 -3.653 -2.393 1.00 1.31 C ATOM 721 CE1 PHE A 43 -6.179 -4.302 0.185 1.00 33.33 C ATOM 722 CE2 PHE A 43 -5.155 -4.906 -1.888 1.00 33.21 C ATOM 723 CZ PHE A 43 -5.523 -5.231 -0.597 1.00 63.15 C ATOM 0 H PHE A 43 -6.828 -0.490 0.253 1.00 61.13 H new ATOM 0 HA PHE A 43 -4.597 -0.328 -1.667 1.00 61.55 H new ATOM 0 HB2 PHE A 43 -7.492 -1.170 -2.081 1.00 63.43 H new ATOM 0 HB3 PHE A 43 -6.182 -1.335 -3.233 1.00 63.43 H new ATOM 0 HD1 PHE A 43 -6.984 -2.329 0.291 1.00 11.45 H new ATOM 0 HD2 PHE A 43 -5.158 -3.404 -3.404 1.00 1.31 H new ATOM 0 HE1 PHE A 43 -6.466 -4.553 1.196 1.00 33.33 H new ATOM 0 HE2 PHE A 43 -4.640 -5.630 -2.502 1.00 33.21 H new ATOM 0 HZ PHE A 43 -5.298 -6.210 -0.200 1.00 63.15 H new ATOM 733 N LEU A 44 -5.162 1.984 -2.352 1.00 2.30 N ATOM 734 CA LEU A 44 -5.465 3.306 -2.888 1.00 72.11 C ATOM 735 C LEU A 44 -5.771 3.231 -4.380 1.00 54.14 C ATOM 736 O LEU A 44 -4.960 2.741 -5.166 1.00 61.45 O ATOM 737 CB LEU A 44 -4.294 4.259 -2.643 1.00 3.25 C ATOM 738 CG LEU A 44 -3.410 3.940 -1.436 1.00 22.21 C ATOM 739 CD1 LEU A 44 -2.576 5.151 -1.051 1.00 5.20 C ATOM 740 CD2 LEU A 44 -4.260 3.480 -0.260 1.00 63.41 C ATOM 0 H LEU A 44 -4.166 1.785 -2.259 1.00 2.30 H new ATOM 0 HA LEU A 44 -6.348 3.686 -2.373 1.00 72.11 H new ATOM 0 HB2 LEU A 44 -3.667 4.269 -3.535 1.00 3.25 H new ATOM 0 HB3 LEU A 44 -4.691 5.267 -2.521 1.00 3.25 H new ATOM 0 HG LEU A 44 -2.733 3.130 -1.709 1.00 22.21 H new ATOM 0 HD11 LEU A 44 -1.954 4.905 -0.191 1.00 5.20 H new ATOM 0 HD12 LEU A 44 -1.940 5.436 -1.889 1.00 5.20 H new ATOM 0 HD13 LEU A 44 -3.235 5.981 -0.797 1.00 5.20 H new ATOM 0 HD21 LEU A 44 -3.615 3.257 0.590 1.00 63.41 H new ATOM 0 HD22 LEU A 44 -4.961 4.269 0.013 1.00 63.41 H new ATOM 0 HD23 LEU A 44 -4.814 2.584 -0.540 1.00 63.41 H new ATOM 752 N ARG A 45 -6.944 3.723 -4.764 1.00 52.31 N ATOM 753 CA ARG A 45 -7.356 3.713 -6.162 1.00 73.44 C ATOM 754 C ARG A 45 -6.546 4.718 -6.975 1.00 74.11 C ATOM 755 O ARG A 45 -7.019 5.814 -7.279 1.00 60.44 O ATOM 756 CB ARG A 45 -8.849 4.032 -6.278 1.00 44.13 C ATOM 757 CG ARG A 45 -9.736 3.092 -5.479 1.00 73.44 C ATOM 758 CD ARG A 45 -11.209 3.419 -5.671 1.00 2.44 C ATOM 759 NE ARG A 45 -11.615 3.317 -7.069 1.00 51.33 N ATOM 760 CZ ARG A 45 -12.850 3.554 -7.495 1.00 74.42 C ATOM 761 NH1 ARG A 45 -13.796 3.905 -6.634 1.00 54.34 N ATOM 762 NH2 ARG A 45 -13.143 3.441 -8.785 1.00 5.15 N ATOM 0 H ARG A 45 -7.626 4.134 -4.126 1.00 52.31 H new ATOM 0 HA ARG A 45 -7.172 2.716 -6.562 1.00 73.44 H new ATOM 0 HB2 ARG A 45 -9.021 5.054 -5.941 1.00 44.13 H new ATOM 0 HB3 ARG A 45 -9.141 3.989 -7.327 1.00 44.13 H new ATOM 0 HG2 ARG A 45 -9.547 2.063 -5.786 1.00 73.44 H new ATOM 0 HG3 ARG A 45 -9.482 3.161 -4.421 1.00 73.44 H new ATOM 0 HD2 ARG A 45 -11.812 2.740 -5.068 1.00 2.44 H new ATOM 0 HD3 ARG A 45 -11.406 4.428 -5.309 1.00 2.44 H new ATOM 0 HE ARG A 45 -10.911 3.049 -7.757 1.00 51.33 H new ATOM 0 HH11 ARG A 45 -13.575 3.993 -5.642 1.00 54.34 H new ATOM 0 HH12 ARG A 45 -14.744 4.087 -6.964 1.00 54.34 H new ATOM 0 HH21 ARG A 45 -12.419 3.172 -9.451 1.00 5.15 H new ATOM 0 HH22 ARG A 45 -14.092 3.623 -9.110 1.00 5.15 H new ATOM 776 N THR A 46 -5.321 4.339 -7.325 1.00 31.30 N ATOM 777 CA THR A 46 -4.444 5.206 -8.101 1.00 21.10 C ATOM 778 C THR A 46 -3.303 4.414 -8.729 1.00 73.14 C ATOM 779 O THR A 46 -2.994 3.302 -8.300 1.00 1.43 O ATOM 780 CB THR A 46 -3.854 6.332 -7.231 1.00 1.22 C ATOM 781 OG1 THR A 46 -3.183 7.290 -8.056 1.00 60.13 O ATOM 782 CG2 THR A 46 -2.881 5.769 -6.204 1.00 54.34 C ATOM 0 H THR A 46 -4.914 3.436 -7.083 1.00 31.30 H new ATOM 0 HA THR A 46 -5.053 5.647 -8.890 1.00 21.10 H new ATOM 0 HB THR A 46 -4.674 6.820 -6.703 1.00 1.22 H new ATOM 0 HG1 THR A 46 -2.952 8.078 -7.521 1.00 60.13 H new ATOM 0 HG21 THR A 46 -2.477 6.582 -5.601 1.00 54.34 H new ATOM 0 HG22 THR A 46 -3.402 5.063 -5.558 1.00 54.34 H new ATOM 0 HG23 THR A 46 -2.066 5.258 -6.717 1.00 54.34 H new ATOM 790 N THR A 47 -2.677 4.994 -9.749 1.00 32.44 N ATOM 791 CA THR A 47 -1.571 4.342 -10.437 1.00 64.12 C ATOM 792 C THR A 47 -0.260 4.548 -9.686 1.00 71.32 C ATOM 793 O THR A 47 -0.124 5.484 -8.899 1.00 3.50 O ATOM 794 CB THR A 47 -1.414 4.870 -11.876 1.00 51.40 C ATOM 795 OG1 THR A 47 -2.686 5.283 -12.387 1.00 52.14 O ATOM 796 CG2 THR A 47 -0.819 3.804 -12.782 1.00 23.13 C ATOM 0 H THR A 47 -2.918 5.915 -10.116 1.00 32.44 H new ATOM 0 HA THR A 47 -1.804 3.278 -10.473 1.00 64.12 H new ATOM 0 HB THR A 47 -0.737 5.724 -11.855 1.00 51.40 H new ATOM 0 HG1 THR A 47 -2.578 5.619 -13.301 1.00 52.14 H new ATOM 0 HG21 THR A 47 -0.718 4.200 -13.792 1.00 23.13 H new ATOM 0 HG22 THR A 47 0.162 3.513 -12.406 1.00 23.13 H new ATOM 0 HG23 THR A 47 -1.474 2.933 -12.798 1.00 23.13 H new ATOM 804 N PHE A 48 0.704 3.668 -9.936 1.00 24.41 N ATOM 805 CA PHE A 48 2.005 3.752 -9.283 1.00 33.21 C ATOM 806 C PHE A 48 2.659 5.105 -9.548 1.00 4.01 C ATOM 807 O PHE A 48 3.375 5.637 -8.701 1.00 2.23 O ATOM 808 CB PHE A 48 2.919 2.627 -9.772 1.00 61.41 C ATOM 809 CG PHE A 48 3.937 2.196 -8.755 1.00 54.34 C ATOM 810 CD1 PHE A 48 3.542 1.777 -7.494 1.00 52.34 C ATOM 811 CD2 PHE A 48 5.288 2.210 -9.060 1.00 1.30 C ATOM 812 CE1 PHE A 48 4.477 1.382 -6.557 1.00 4.11 C ATOM 813 CE2 PHE A 48 6.228 1.816 -8.125 1.00 72.32 C ATOM 814 CZ PHE A 48 5.822 1.401 -6.873 1.00 32.52 C ATOM 0 H PHE A 48 0.609 2.888 -10.586 1.00 24.41 H new ATOM 0 HA PHE A 48 1.852 3.645 -8.209 1.00 33.21 H new ATOM 0 HB2 PHE A 48 2.308 1.768 -10.049 1.00 61.41 H new ATOM 0 HB3 PHE A 48 3.435 2.955 -10.674 1.00 61.41 H new ATOM 0 HD1 PHE A 48 2.492 1.759 -7.241 1.00 52.34 H new ATOM 0 HD2 PHE A 48 5.611 2.532 -10.039 1.00 1.30 H new ATOM 0 HE1 PHE A 48 4.157 1.058 -5.578 1.00 4.11 H new ATOM 0 HE2 PHE A 48 7.279 1.833 -8.374 1.00 72.32 H new ATOM 0 HZ PHE A 48 6.554 1.092 -6.142 1.00 32.52 H new ATOM 824 N ALA A 49 2.407 5.655 -10.732 1.00 4.42 N ATOM 825 CA ALA A 49 2.970 6.946 -11.108 1.00 51.13 C ATOM 826 C ALA A 49 2.464 8.054 -10.191 1.00 14.51 C ATOM 827 O ALA A 49 3.252 8.783 -9.591 1.00 3.25 O ATOM 828 CB ALA A 49 2.637 7.265 -12.558 1.00 32.13 C ATOM 0 H ALA A 49 1.818 5.227 -11.446 1.00 4.42 H new ATOM 0 HA ALA A 49 4.053 6.887 -11.000 1.00 51.13 H new ATOM 0 HB1 ALA A 49 3.064 8.232 -12.825 1.00 32.13 H new ATOM 0 HB2 ALA A 49 3.054 6.493 -13.205 1.00 32.13 H new ATOM 0 HB3 ALA A 49 1.555 7.299 -12.684 1.00 32.13 H new ATOM 834 N ASN A 50 1.145 8.175 -10.089 1.00 55.14 N ATOM 835 CA ASN A 50 0.534 9.196 -9.247 1.00 35.25 C ATOM 836 C ASN A 50 1.079 9.124 -7.824 1.00 11.23 C ATOM 837 O ASN A 50 0.999 10.092 -7.067 1.00 31.24 O ATOM 838 CB ASN A 50 -0.988 9.031 -9.231 1.00 3.32 C ATOM 839 CG ASN A 50 -1.613 9.306 -10.585 1.00 35.33 C ATOM 840 OD1 ASN A 50 -1.715 10.456 -11.011 1.00 45.21 O ATOM 841 ND2 ASN A 50 -2.036 8.248 -11.266 1.00 73.25 N ATOM 0 H ASN A 50 0.479 7.578 -10.579 1.00 55.14 H new ATOM 0 HA ASN A 50 0.782 10.172 -9.664 1.00 35.25 H new ATOM 0 HB2 ASN A 50 -1.238 8.017 -8.918 1.00 3.32 H new ATOM 0 HB3 ASN A 50 -1.416 9.708 -8.492 1.00 3.32 H new ATOM 0 HD21 ASN A 50 -2.467 8.370 -12.183 1.00 73.25 H new ATOM 0 HD22 ASN A 50 -1.930 7.313 -10.873 1.00 73.25 H new ATOM 848 N VAL A 51 1.634 7.970 -7.466 1.00 13.42 N ATOM 849 CA VAL A 51 2.194 7.773 -6.134 1.00 63.34 C ATOM 850 C VAL A 51 3.669 8.157 -6.096 1.00 2.21 C ATOM 851 O VAL A 51 4.163 8.666 -5.089 1.00 24.20 O ATOM 852 CB VAL A 51 2.045 6.310 -5.675 1.00 32.22 C ATOM 853 CG1 VAL A 51 3.085 5.974 -4.617 1.00 15.13 C ATOM 854 CG2 VAL A 51 0.639 6.057 -5.152 1.00 75.34 C ATOM 0 H VAL A 51 1.708 7.158 -8.079 1.00 13.42 H new ATOM 0 HA VAL A 51 1.635 8.419 -5.456 1.00 63.34 H new ATOM 0 HB VAL A 51 2.211 5.659 -6.533 1.00 32.22 H new ATOM 0 HG11 VAL A 51 2.964 4.937 -4.305 1.00 15.13 H new ATOM 0 HG12 VAL A 51 4.084 6.115 -5.031 1.00 15.13 H new ATOM 0 HG13 VAL A 51 2.953 6.630 -3.756 1.00 15.13 H new ATOM 0 HG21 VAL A 51 0.551 5.019 -4.832 1.00 75.34 H new ATOM 0 HG22 VAL A 51 0.442 6.715 -4.306 1.00 75.34 H new ATOM 0 HG23 VAL A 51 -0.085 6.255 -5.943 1.00 75.34 H new ATOM 864 N VAL A 52 4.368 7.912 -7.200 1.00 13.12 N ATOM 865 CA VAL A 52 5.787 8.235 -7.294 1.00 12.52 C ATOM 866 C VAL A 52 6.016 9.739 -7.199 1.00 11.24 C ATOM 867 O VAL A 52 6.983 10.193 -6.588 1.00 71.41 O ATOM 868 CB VAL A 52 6.394 7.717 -8.611 1.00 52.25 C ATOM 869 CG1 VAL A 52 7.857 8.121 -8.721 1.00 10.24 C ATOM 870 CG2 VAL A 52 6.241 6.207 -8.710 1.00 63.10 C ATOM 0 H VAL A 52 3.975 7.491 -8.042 1.00 13.12 H new ATOM 0 HA VAL A 52 6.280 7.742 -6.456 1.00 12.52 H new ATOM 0 HB VAL A 52 5.854 8.170 -9.442 1.00 52.25 H new ATOM 0 HG11 VAL A 52 8.269 7.746 -9.658 1.00 10.24 H new ATOM 0 HG12 VAL A 52 7.937 9.208 -8.699 1.00 10.24 H new ATOM 0 HG13 VAL A 52 8.415 7.699 -7.885 1.00 10.24 H new ATOM 0 HG21 VAL A 52 6.675 5.858 -9.647 1.00 63.10 H new ATOM 0 HG22 VAL A 52 6.755 5.734 -7.873 1.00 63.10 H new ATOM 0 HG23 VAL A 52 5.183 5.946 -8.681 1.00 63.10 H new ATOM 880 N ASN A 53 5.118 10.509 -7.806 1.00 30.40 N ATOM 881 CA ASN A 53 5.222 11.963 -7.790 1.00 52.53 C ATOM 882 C ASN A 53 4.924 12.515 -6.398 1.00 64.54 C ATOM 883 O ASN A 53 5.339 13.622 -6.055 1.00 64.31 O ATOM 884 CB ASN A 53 4.261 12.575 -8.810 1.00 52.43 C ATOM 885 CG ASN A 53 3.883 14.003 -8.465 1.00 2.33 C ATOM 886 OD1 ASN A 53 4.609 14.944 -8.788 1.00 12.43 O ATOM 887 ND2 ASN A 53 2.744 14.171 -7.804 1.00 51.34 N ATOM 0 H ASN A 53 4.310 10.150 -8.315 1.00 30.40 H new ATOM 0 HA ASN A 53 6.244 12.232 -8.057 1.00 52.53 H new ATOM 0 HB2 ASN A 53 4.721 12.553 -9.798 1.00 52.43 H new ATOM 0 HB3 ASN A 53 3.358 11.966 -8.865 1.00 52.43 H new ATOM 0 HD21 ASN A 53 2.439 15.109 -7.543 1.00 51.34 H new ATOM 0 HD22 ASN A 53 2.174 13.362 -7.557 1.00 51.34 H new ATOM 894 N VAL A 54 4.202 11.734 -5.600 1.00 72.34 N ATOM 895 CA VAL A 54 3.850 12.142 -4.247 1.00 14.32 C ATOM 896 C VAL A 54 5.079 12.177 -3.346 1.00 4.31 C ATOM 897 O VAL A 54 5.151 12.968 -2.405 1.00 71.21 O ATOM 898 CB VAL A 54 2.802 11.197 -3.631 1.00 11.45 C ATOM 899 CG1 VAL A 54 2.798 11.319 -2.114 1.00 53.13 C ATOM 900 CG2 VAL A 54 1.421 11.489 -4.200 1.00 1.13 C ATOM 0 H VAL A 54 3.850 10.815 -5.868 1.00 72.34 H new ATOM 0 HA VAL A 54 3.427 13.144 -4.318 1.00 14.32 H new ATOM 0 HB VAL A 54 3.068 10.172 -3.889 1.00 11.45 H new ATOM 0 HG11 VAL A 54 2.051 10.644 -1.697 1.00 53.13 H new ATOM 0 HG12 VAL A 54 3.782 11.057 -1.725 1.00 53.13 H new ATOM 0 HG13 VAL A 54 2.558 12.344 -1.832 1.00 53.13 H new ATOM 0 HG21 VAL A 54 0.693 10.812 -3.754 1.00 1.13 H new ATOM 0 HG22 VAL A 54 1.145 12.519 -3.974 1.00 1.13 H new ATOM 0 HG23 VAL A 54 1.435 11.346 -5.280 1.00 1.13 H new ATOM 910 N CYS A 55 6.046 11.314 -3.639 1.00 32.31 N ATOM 911 CA CYS A 55 7.274 11.244 -2.856 1.00 71.33 C ATOM 912 C CYS A 55 8.105 12.512 -3.035 1.00 24.44 C ATOM 913 O CYS A 55 8.919 12.858 -2.180 1.00 73.35 O ATOM 914 CB CYS A 55 8.095 10.020 -3.266 1.00 0.52 C ATOM 915 SG CYS A 55 7.092 8.586 -3.773 1.00 42.43 S ATOM 0 H CYS A 55 6.003 10.652 -4.414 1.00 32.31 H new ATOM 0 HA CYS A 55 7.002 11.154 -1.804 1.00 71.33 H new ATOM 0 HB2 CYS A 55 8.754 10.297 -4.088 1.00 0.52 H new ATOM 0 HB3 CYS A 55 8.732 9.727 -2.431 1.00 0.52 H new ATOM 920 N GLY A 56 7.892 13.199 -4.153 1.00 55.51 N ATOM 921 CA GLY A 56 8.628 14.421 -4.423 1.00 24.45 C ATOM 922 C GLY A 56 8.046 15.620 -3.703 1.00 54.40 C ATOM 923 O GLY A 56 8.546 16.737 -3.838 1.00 2.05 O ATOM 0 H GLY A 56 7.224 12.932 -4.876 1.00 55.51 H new ATOM 0 HA2 GLY A 56 9.667 14.290 -4.122 1.00 24.45 H new ATOM 0 HA3 GLY A 56 8.629 14.611 -5.496 1.00 24.45 H new ATOM 927 N ASN A 57 6.985 15.391 -2.936 1.00 23.01 N ATOM 928 CA ASN A 57 6.333 16.464 -2.193 1.00 21.33 C ATOM 929 C ASN A 57 7.044 16.717 -0.867 1.00 41.24 C ATOM 930 O ASN A 57 7.848 15.901 -0.417 1.00 75.03 O ATOM 931 CB ASN A 57 4.865 16.115 -1.939 1.00 51.20 C ATOM 932 CG ASN A 57 4.084 15.927 -3.225 1.00 23.11 C ATOM 933 OD1 ASN A 57 4.650 15.958 -4.318 1.00 71.41 O ATOM 934 ND2 ASN A 57 2.777 15.730 -3.100 1.00 50.13 N ATOM 0 H ASN A 57 6.558 14.473 -2.813 1.00 23.01 H new ATOM 0 HA ASN A 57 6.386 17.373 -2.792 1.00 21.33 H new ATOM 0 HB2 ASN A 57 4.809 15.202 -1.346 1.00 51.20 H new ATOM 0 HB3 ASN A 57 4.403 16.907 -1.349 1.00 51.20 H new ATOM 0 HD21 ASN A 57 2.200 15.597 -3.930 1.00 50.13 H new ATOM 0 HD22 ASN A 57 2.350 15.712 -2.174 1.00 50.13 H new ATOM 941 N GLN A 58 6.742 17.854 -0.248 1.00 74.53 N ATOM 942 CA GLN A 58 7.352 18.215 1.026 1.00 10.11 C ATOM 943 C GLN A 58 7.329 17.037 1.994 1.00 54.30 C ATOM 944 O GLN A 58 6.284 16.698 2.550 1.00 70.11 O ATOM 945 CB GLN A 58 6.626 19.411 1.642 1.00 15.33 C ATOM 946 CG GLN A 58 7.506 20.257 2.549 1.00 20.12 C ATOM 947 CD GLN A 58 7.584 19.711 3.961 1.00 24.43 C ATOM 948 OE1 GLN A 58 6.566 19.369 4.564 1.00 4.04 O ATOM 949 NE2 GLN A 58 8.797 19.624 4.496 1.00 13.20 N ATOM 0 H GLN A 58 6.079 18.540 -0.608 1.00 74.53 H new ATOM 0 HA GLN A 58 8.391 18.487 0.839 1.00 10.11 H new ATOM 0 HB2 GLN A 58 6.234 20.039 0.842 1.00 15.33 H new ATOM 0 HB3 GLN A 58 5.770 19.051 2.213 1.00 15.33 H new ATOM 0 HG2 GLN A 58 8.510 20.310 2.128 1.00 20.12 H new ATOM 0 HG3 GLN A 58 7.118 21.275 2.578 1.00 20.12 H new ATOM 0 HE21 GLN A 58 9.613 19.919 3.960 1.00 13.20 H new ATOM 0 HE22 GLN A 58 8.912 19.262 5.443 1.00 13.20 H new ATOM 958 N SER A 59 8.488 16.417 2.191 1.00 32.43 N ATOM 959 CA SER A 59 8.599 15.273 3.090 1.00 41.04 C ATOM 960 C SER A 59 8.363 15.694 4.537 1.00 20.20 C ATOM 961 O SER A 59 8.390 16.882 4.861 1.00 20.12 O ATOM 962 CB SER A 59 9.978 14.624 2.954 1.00 71.24 C ATOM 963 OG SER A 59 11.010 15.566 3.186 1.00 63.23 O ATOM 0 H SER A 59 9.363 16.687 1.741 1.00 32.43 H new ATOM 0 HA SER A 59 7.834 14.548 2.812 1.00 41.04 H new ATOM 0 HB2 SER A 59 10.067 13.800 3.662 1.00 71.24 H new ATOM 0 HB3 SER A 59 10.087 14.199 1.956 1.00 71.24 H new ATOM 0 HG SER A 59 11.881 15.126 3.095 1.00 63.23 H new ATOM 969 N ILE A 60 8.131 14.713 5.401 1.00 31.34 N ATOM 970 CA ILE A 60 7.891 14.980 6.814 1.00 21.13 C ATOM 971 C ILE A 60 8.171 13.744 7.663 1.00 61.13 C ATOM 972 O ILE A 60 8.277 12.633 7.143 1.00 14.25 O ATOM 973 CB ILE A 60 6.443 15.442 7.061 1.00 3.01 C ATOM 974 CG1 ILE A 60 5.462 14.551 6.297 1.00 63.42 C ATOM 975 CG2 ILE A 60 6.275 16.898 6.652 1.00 34.20 C ATOM 976 CD1 ILE A 60 4.017 14.767 6.688 1.00 63.13 C ATOM 0 H ILE A 60 8.104 13.725 5.148 1.00 31.34 H new ATOM 0 HA ILE A 60 8.573 15.779 7.105 1.00 21.13 H new ATOM 0 HB ILE A 60 6.227 15.357 8.126 1.00 3.01 H new ATOM 0 HG12 ILE A 60 5.572 14.736 5.229 1.00 63.42 H new ATOM 0 HG13 ILE A 60 5.724 13.507 6.468 1.00 63.42 H new ATOM 0 HG21 ILE A 60 5.246 17.210 6.832 1.00 34.20 H new ATOM 0 HG22 ILE A 60 6.951 17.521 7.238 1.00 34.20 H new ATOM 0 HG23 ILE A 60 6.507 17.007 5.593 1.00 34.20 H new ATOM 0 HD11 ILE A 60 3.379 14.102 6.106 1.00 63.13 H new ATOM 0 HD12 ILE A 60 3.891 14.553 7.749 1.00 63.13 H new ATOM 0 HD13 ILE A 60 3.738 15.802 6.491 1.00 63.13 H new ATOM 988 N ARG A 61 8.288 13.947 8.971 1.00 31.43 N ATOM 989 CA ARG A 61 8.554 12.849 9.892 1.00 2.02 C ATOM 990 C ARG A 61 7.301 12.005 10.111 1.00 72.25 C ATOM 991 O ARG A 61 6.299 12.488 10.639 1.00 3.45 O ATOM 992 CB ARG A 61 9.057 13.389 11.232 1.00 45.51 C ATOM 993 CG ARG A 61 7.996 14.134 12.025 1.00 52.45 C ATOM 994 CD ARG A 61 8.620 15.056 13.062 1.00 11.21 C ATOM 995 NE ARG A 61 7.624 15.911 13.704 1.00 63.14 N ATOM 996 CZ ARG A 61 7.930 17.008 14.388 1.00 34.25 C ATOM 997 NH1 ARG A 61 9.195 17.379 14.521 1.00 43.22 N ATOM 998 NH2 ARG A 61 6.968 17.734 14.944 1.00 71.55 N ATOM 0 H ARG A 61 8.203 14.861 9.416 1.00 31.43 H new ATOM 0 HA ARG A 61 9.324 12.217 9.450 1.00 2.02 H new ATOM 0 HB2 ARG A 61 9.431 12.559 11.832 1.00 45.51 H new ATOM 0 HB3 ARG A 61 9.900 14.057 11.052 1.00 45.51 H new ATOM 0 HG2 ARG A 61 7.375 14.717 11.345 1.00 52.45 H new ATOM 0 HG3 ARG A 61 7.341 13.418 12.521 1.00 52.45 H new ATOM 0 HD2 ARG A 61 9.128 14.459 13.820 1.00 11.21 H new ATOM 0 HD3 ARG A 61 9.378 15.677 12.585 1.00 11.21 H new ATOM 0 HE ARG A 61 6.641 15.652 13.623 1.00 63.14 H new ATOM 0 HH11 ARG A 61 9.937 16.822 14.098 1.00 43.22 H new ATOM 0 HH12 ARG A 61 9.427 18.222 15.047 1.00 43.22 H new ATOM 0 HH21 ARG A 61 5.993 17.450 14.846 1.00 71.55 H new ATOM 0 HH22 ARG A 61 7.203 18.576 15.469 1.00 71.55 H new ATOM 1012 N CYS A 62 7.364 10.743 9.699 1.00 41.42 N ATOM 1013 CA CYS A 62 6.237 9.832 9.848 1.00 72.44 C ATOM 1014 C CYS A 62 5.912 9.604 11.322 1.00 64.44 C ATOM 1015 O CYS A 62 6.797 9.549 12.176 1.00 54.53 O ATOM 1016 CB CYS A 62 6.540 8.496 9.167 1.00 12.32 C ATOM 1017 SG CYS A 62 6.036 8.421 7.418 1.00 44.42 S ATOM 0 H CYS A 62 8.185 10.328 9.259 1.00 41.42 H new ATOM 0 HA CYS A 62 5.369 10.286 9.370 1.00 72.44 H new ATOM 0 HB2 CYS A 62 7.610 8.301 9.234 1.00 12.32 H new ATOM 0 HB3 CYS A 62 6.036 7.699 9.714 1.00 12.32 H new ATOM 1022 N PRO A 63 4.615 9.465 11.627 1.00 34.53 N ATOM 1023 CA PRO A 63 4.143 9.238 12.997 1.00 5.02 C ATOM 1024 C PRO A 63 4.514 7.853 13.516 1.00 51.31 C ATOM 1025 O PRO A 63 4.642 7.645 14.723 1.00 2.52 O ATOM 1026 CB PRO A 63 2.623 9.374 12.877 1.00 51.14 C ATOM 1027 CG PRO A 63 2.324 9.037 11.457 1.00 50.11 C ATOM 1028 CD PRO A 63 3.506 9.517 10.659 1.00 52.31 C ATOM 0 HA PRO A 63 4.592 9.936 13.703 1.00 5.02 H new ATOM 0 HB2 PRO A 63 2.110 8.698 13.561 1.00 51.14 H new ATOM 0 HB3 PRO A 63 2.295 10.384 13.122 1.00 51.14 H new ATOM 0 HG2 PRO A 63 2.179 7.964 11.333 1.00 50.11 H new ATOM 0 HG3 PRO A 63 1.406 9.523 11.126 1.00 50.11 H new ATOM 0 HD2 PRO A 63 3.695 8.878 9.797 1.00 52.31 H new ATOM 0 HD3 PRO A 63 3.351 10.527 10.279 1.00 52.31 H new ATOM 1036 N HIS A 64 4.687 6.908 12.597 1.00 74.01 N ATOM 1037 CA HIS A 64 5.044 5.542 12.963 1.00 41.35 C ATOM 1038 C HIS A 64 6.490 5.469 13.444 1.00 41.53 C ATOM 1039 O HIS A 64 6.864 4.558 14.180 1.00 43.23 O ATOM 1040 CB HIS A 64 4.842 4.604 11.773 1.00 24.03 C ATOM 1041 CG HIS A 64 4.879 3.152 12.142 1.00 41.15 C ATOM 1042 ND1 HIS A 64 5.562 2.206 11.406 1.00 71.21 N ATOM 1043 CD2 HIS A 64 4.315 2.488 13.177 1.00 65.23 C ATOM 1044 CE1 HIS A 64 5.413 1.022 11.972 1.00 25.42 C ATOM 1045 NE2 HIS A 64 4.662 1.165 13.049 1.00 33.31 N ATOM 0 H HIS A 64 4.586 7.063 11.594 1.00 74.01 H new ATOM 0 HA HIS A 64 4.392 5.228 13.778 1.00 41.35 H new ATOM 0 HB2 HIS A 64 3.884 4.827 11.304 1.00 24.03 H new ATOM 0 HB3 HIS A 64 5.615 4.801 11.030 1.00 24.03 H new ATOM 0 HD2 HIS A 64 3.706 2.918 13.958 1.00 65.23 H new ATOM 0 HE1 HIS A 64 5.834 0.094 11.615 1.00 25.42 H new ATOM 0 HE2 HIS A 64 4.385 0.415 13.683 1.00 33.31 H new ATOM 1054 N ASN A 65 7.299 6.436 13.021 1.00 61.14 N ATOM 1055 CA ASN A 65 8.705 6.481 13.407 1.00 31.53 C ATOM 1056 C ASN A 65 9.171 7.921 13.597 1.00 41.32 C ATOM 1057 O ASN A 65 9.377 8.651 12.627 1.00 4.04 O ATOM 1058 CB ASN A 65 9.567 5.789 12.349 1.00 4.01 C ATOM 1059 CG ASN A 65 9.009 4.439 11.940 1.00 45.22 C ATOM 1060 OD1 ASN A 65 8.059 4.359 11.162 1.00 62.31 O ATOM 1061 ND2 ASN A 65 9.600 3.371 12.465 1.00 41.33 N ATOM 0 H ASN A 65 7.005 7.199 12.411 1.00 61.14 H new ATOM 0 HA ASN A 65 8.813 5.955 14.356 1.00 31.53 H new ATOM 0 HB2 ASN A 65 9.642 6.429 11.470 1.00 4.01 H new ATOM 0 HB3 ASN A 65 10.578 5.659 12.736 1.00 4.01 H new ATOM 0 HD21 ASN A 65 9.269 2.436 12.227 1.00 41.33 H new ATOM 0 HD22 ASN A 65 10.385 3.486 13.106 1.00 41.33 H new ATOM 1068 N ARG A 66 9.335 8.323 14.853 1.00 71.51 N ATOM 1069 CA ARG A 66 9.776 9.675 15.171 1.00 5.44 C ATOM 1070 C ARG A 66 11.261 9.849 14.865 1.00 3.14 C ATOM 1071 O ARG A 66 11.838 10.908 15.113 1.00 42.24 O ATOM 1072 CB ARG A 66 9.508 9.989 16.644 1.00 50.10 C ATOM 1073 CG ARG A 66 10.152 9.001 17.604 1.00 54.12 C ATOM 1074 CD ARG A 66 9.719 9.257 19.039 1.00 5.20 C ATOM 1075 NE ARG A 66 8.304 8.965 19.245 1.00 70.31 N ATOM 1076 CZ ARG A 66 7.762 8.754 20.439 1.00 23.23 C ATOM 1077 NH1 ARG A 66 8.515 8.803 21.529 1.00 15.15 N ATOM 1078 NH2 ARG A 66 6.466 8.493 20.545 1.00 34.22 N ATOM 0 H ARG A 66 9.169 7.731 15.667 1.00 71.51 H new ATOM 0 HA ARG A 66 9.211 10.370 14.550 1.00 5.44 H new ATOM 0 HB2 ARG A 66 9.876 10.991 16.866 1.00 50.10 H new ATOM 0 HB3 ARG A 66 8.431 9.999 16.815 1.00 50.10 H new ATOM 0 HG2 ARG A 66 9.882 7.985 17.317 1.00 54.12 H new ATOM 0 HG3 ARG A 66 11.237 9.076 17.531 1.00 54.12 H new ATOM 0 HD2 ARG A 66 10.317 8.644 19.713 1.00 5.20 H new ATOM 0 HD3 ARG A 66 9.915 10.298 19.296 1.00 5.20 H new ATOM 0 HE ARG A 66 7.697 8.920 18.426 1.00 70.31 H new ATOM 0 HH11 ARG A 66 9.512 9.003 21.451 1.00 15.15 H new ATOM 0 HH12 ARG A 66 8.097 8.641 22.445 1.00 15.15 H new ATOM 0 HH21 ARG A 66 5.884 8.454 19.709 1.00 34.22 H new ATOM 0 HH22 ARG A 66 6.052 8.331 21.463 1.00 34.22 H new ATOM 1092 N THR A 67 11.875 8.801 14.325 1.00 1.11 N ATOM 1093 CA THR A 67 13.292 8.836 13.986 1.00 2.31 C ATOM 1094 C THR A 67 13.527 8.370 12.554 1.00 23.22 C ATOM 1095 O THR A 67 14.460 7.612 12.282 1.00 30.15 O ATOM 1096 CB THR A 67 14.121 7.957 14.943 1.00 74.30 C ATOM 1097 OG1 THR A 67 15.516 8.101 14.656 1.00 51.02 O ATOM 1098 CG2 THR A 67 13.720 6.495 14.818 1.00 62.40 C ATOM 0 H THR A 67 11.413 7.917 14.113 1.00 1.11 H new ATOM 0 HA THR A 67 13.615 9.872 14.085 1.00 2.31 H new ATOM 0 HB THR A 67 13.925 8.285 15.964 1.00 74.30 H new ATOM 0 HG1 THR A 67 15.683 7.870 13.718 1.00 51.02 H new ATOM 0 HG21 THR A 67 14.318 5.894 15.503 1.00 62.40 H new ATOM 0 HG22 THR A 67 12.664 6.385 15.066 1.00 62.40 H new ATOM 0 HG23 THR A 67 13.890 6.157 13.796 1.00 62.40 H new ATOM 1106 N LEU A 68 12.678 8.827 11.642 1.00 71.35 N ATOM 1107 CA LEU A 68 12.794 8.457 10.235 1.00 13.13 C ATOM 1108 C LEU A 68 12.065 9.459 9.347 1.00 55.21 C ATOM 1109 O LEU A 68 10.849 9.622 9.445 1.00 31.14 O ATOM 1110 CB LEU A 68 12.231 7.053 10.009 1.00 34.01 C ATOM 1111 CG LEU A 68 11.769 6.737 8.585 1.00 34.24 C ATOM 1112 CD1 LEU A 68 12.965 6.565 7.663 1.00 40.02 C ATOM 1113 CD2 LEU A 68 10.899 5.488 8.572 1.00 24.10 C ATOM 0 H LEU A 68 11.901 9.454 11.850 1.00 71.35 H new ATOM 0 HA LEU A 68 13.851 8.465 9.968 1.00 13.13 H new ATOM 0 HB2 LEU A 68 12.994 6.327 10.292 1.00 34.01 H new ATOM 0 HB3 LEU A 68 11.387 6.908 10.684 1.00 34.01 H new ATOM 0 HG LEU A 68 11.173 7.574 8.222 1.00 34.24 H new ATOM 0 HD11 LEU A 68 12.618 6.341 6.654 1.00 40.02 H new ATOM 0 HD12 LEU A 68 13.549 7.485 7.649 1.00 40.02 H new ATOM 0 HD13 LEU A 68 13.587 5.746 8.023 1.00 40.02 H new ATOM 0 HD21 LEU A 68 10.579 5.278 7.551 1.00 24.10 H new ATOM 0 HD22 LEU A 68 11.471 4.642 8.954 1.00 24.10 H new ATOM 0 HD23 LEU A 68 10.023 5.648 9.201 1.00 24.10 H new ATOM 1125 N ASN A 69 12.816 10.128 8.477 1.00 31.14 N ATOM 1126 CA ASN A 69 12.240 11.114 7.569 1.00 34.14 C ATOM 1127 C ASN A 69 12.503 10.733 6.115 1.00 35.43 C ATOM 1128 O ASN A 69 13.260 11.403 5.415 1.00 15.20 O ATOM 1129 CB ASN A 69 12.817 12.501 7.857 1.00 2.22 C ATOM 1130 CG ASN A 69 13.126 12.705 9.328 1.00 75.43 C ATOM 1131 OD1 ASN A 69 12.121 12.512 10.175 1.00 24.21 O flip ATOM 1132 ND2 ASN A 69 14.253 13.033 9.697 1.00 41.21 N flip ATOM 0 H ASN A 69 13.824 10.005 8.382 1.00 31.14 H new ATOM 0 HA ASN A 69 11.162 11.135 7.731 1.00 34.14 H new ATOM 0 HB2 ASN A 69 13.728 12.641 7.275 1.00 2.22 H new ATOM 0 HB3 ASN A 69 12.109 13.262 7.528 1.00 2.22 H new ATOM 0 HD21 ASN A 69 14.995 13.170 9.010 1.00 41.21 H new ATOM 0 HD22 ASN A 69 14.446 13.168 10.690 1.00 41.21 H new ATOM 1139 N ASN A 70 11.871 9.652 5.670 1.00 73.22 N ATOM 1140 CA ASN A 70 12.036 9.182 4.299 1.00 62.41 C ATOM 1141 C ASN A 70 10.682 8.935 3.641 1.00 41.41 C ATOM 1142 O ASN A 70 10.581 8.204 2.656 1.00 53.01 O ATOM 1143 CB ASN A 70 12.867 7.897 4.275 1.00 2.30 C ATOM 1144 CG ASN A 70 13.299 7.513 2.873 1.00 2.32 C ATOM 1145 OD1 ASN A 70 13.764 8.354 2.103 1.00 72.12 O ATOM 1146 ND2 ASN A 70 13.147 6.238 2.535 1.00 35.21 N ATOM 0 H ASN A 70 11.241 9.086 6.238 1.00 73.22 H new ATOM 0 HA ASN A 70 12.558 9.957 3.737 1.00 62.41 H new ATOM 0 HB2 ASN A 70 13.750 8.027 4.901 1.00 2.30 H new ATOM 0 HB3 ASN A 70 12.285 7.083 4.709 1.00 2.30 H new ATOM 0 HD21 ASN A 70 13.420 5.921 1.605 1.00 35.21 H new ATOM 0 HD22 ASN A 70 12.757 5.576 3.206 1.00 35.21 H new ATOM 1153 N CYS A 71 9.643 9.553 4.192 1.00 75.21 N ATOM 1154 CA CYS A 71 8.293 9.403 3.660 1.00 42.45 C ATOM 1155 C CYS A 71 7.700 10.759 3.290 1.00 53.12 C ATOM 1156 O CYS A 71 8.190 11.803 3.724 1.00 12.31 O ATOM 1157 CB CYS A 71 7.394 8.702 4.681 1.00 43.14 C ATOM 1158 SG CYS A 71 7.673 9.230 6.402 1.00 5.32 S ATOM 0 H CYS A 71 9.710 10.163 5.007 1.00 75.21 H new ATOM 0 HA CYS A 71 8.351 8.793 2.758 1.00 42.45 H new ATOM 0 HB2 CYS A 71 6.352 8.887 4.420 1.00 43.14 H new ATOM 0 HB3 CYS A 71 7.554 7.626 4.612 1.00 43.14 H new ATOM 1163 N HIS A 72 6.642 10.737 2.486 1.00 61.13 N ATOM 1164 CA HIS A 72 5.981 11.965 2.058 1.00 72.42 C ATOM 1165 C HIS A 72 4.464 11.799 2.071 1.00 22.32 C ATOM 1166 O HIS A 72 3.948 10.705 1.840 1.00 13.11 O ATOM 1167 CB HIS A 72 6.450 12.360 0.658 1.00 53.01 C ATOM 1168 CG HIS A 72 7.920 12.175 0.444 1.00 52.21 C ATOM 1169 ND1 HIS A 72 8.796 13.228 0.289 1.00 43.35 N ATOM 1170 CD2 HIS A 72 8.668 11.050 0.361 1.00 33.03 C ATOM 1171 CE1 HIS A 72 10.019 12.759 0.118 1.00 45.53 C ATOM 1172 NE2 HIS A 72 9.970 11.440 0.159 1.00 75.22 N ATOM 0 H HIS A 72 6.224 9.883 2.118 1.00 61.13 H new ATOM 0 HA HIS A 72 6.248 12.755 2.759 1.00 72.42 H new ATOM 0 HB2 HIS A 72 5.907 11.768 -0.079 1.00 53.01 H new ATOM 0 HB3 HIS A 72 6.194 13.404 0.479 1.00 53.01 H new ATOM 0 HD1 HIS A 72 8.540 14.215 0.304 1.00 43.35 H new ATOM 0 HD2 HIS A 72 8.308 10.035 0.439 1.00 33.03 H new ATOM 0 HE1 HIS A 72 10.908 13.354 -0.030 1.00 45.53 H new ATOM 1181 N ARG A 73 3.756 12.890 2.344 1.00 31.24 N ATOM 1182 CA ARG A 73 2.299 12.863 2.390 1.00 54.50 C ATOM 1183 C ARG A 73 1.705 13.414 1.097 1.00 12.41 C ATOM 1184 O ARG A 73 1.980 14.550 0.710 1.00 14.44 O ATOM 1185 CB ARG A 73 1.790 13.674 3.583 1.00 2.02 C ATOM 1186 CG ARG A 73 0.337 13.397 3.933 1.00 30.41 C ATOM 1187 CD ARG A 73 -0.267 14.531 4.746 1.00 24.33 C ATOM 1188 NE ARG A 73 -0.262 15.793 4.012 1.00 50.51 N ATOM 1189 CZ ARG A 73 -1.099 16.793 4.264 1.00 14.44 C ATOM 1190 NH1 ARG A 73 -2.003 16.678 5.229 1.00 41.35 N ATOM 1191 NH2 ARG A 73 -1.034 17.911 3.553 1.00 22.20 N ATOM 0 H ARG A 73 4.167 13.803 2.537 1.00 31.24 H new ATOM 0 HA ARG A 73 1.983 11.826 2.503 1.00 54.50 H new ATOM 0 HB2 ARG A 73 2.412 13.456 4.451 1.00 2.02 H new ATOM 0 HB3 ARG A 73 1.906 14.736 3.366 1.00 2.02 H new ATOM 0 HG2 ARG A 73 -0.238 13.258 3.018 1.00 30.41 H new ATOM 0 HG3 ARG A 73 0.269 12.467 4.497 1.00 30.41 H new ATOM 0 HD2 ARG A 73 -1.290 14.275 5.020 1.00 24.33 H new ATOM 0 HD3 ARG A 73 0.292 14.649 5.674 1.00 24.33 H new ATOM 0 HE ARG A 73 0.422 15.913 3.265 1.00 50.51 H new ATOM 0 HH11 ARG A 73 -2.056 15.820 5.779 1.00 41.35 H new ATOM 0 HH12 ARG A 73 -2.645 17.447 5.421 1.00 41.35 H new ATOM 0 HH21 ARG A 73 -0.340 18.004 2.811 1.00 22.20 H new ATOM 0 HH22 ARG A 73 -1.678 18.678 3.748 1.00 22.20 H new ATOM 1205 N SER A 74 0.889 12.601 0.433 1.00 44.34 N ATOM 1206 CA SER A 74 0.261 13.006 -0.819 1.00 31.42 C ATOM 1207 C SER A 74 -0.386 14.381 -0.682 1.00 71.42 C ATOM 1208 O SER A 74 -1.123 14.641 0.268 1.00 2.44 O ATOM 1209 CB SER A 74 -0.790 11.977 -1.242 1.00 65.44 C ATOM 1210 OG SER A 74 -1.255 12.234 -2.556 1.00 63.21 O ATOM 0 H SER A 74 0.648 11.659 0.741 1.00 44.34 H new ATOM 0 HA SER A 74 1.035 13.062 -1.584 1.00 31.42 H new ATOM 0 HB2 SER A 74 -0.363 10.975 -1.193 1.00 65.44 H new ATOM 0 HB3 SER A 74 -1.628 12.001 -0.545 1.00 65.44 H new ATOM 0 HG SER A 74 -2.155 12.620 -2.515 1.00 63.21 H new ATOM 1216 N ARG A 75 -0.104 15.259 -1.641 1.00 25.42 N ATOM 1217 CA ARG A 75 -0.655 16.607 -1.628 1.00 34.21 C ATOM 1218 C ARG A 75 -2.109 16.604 -2.092 1.00 51.21 C ATOM 1219 O ARG A 75 -2.880 17.506 -1.761 1.00 31.14 O ATOM 1220 CB ARG A 75 0.174 17.529 -2.523 1.00 2.01 C ATOM 1221 CG ARG A 75 -0.267 17.526 -3.977 1.00 72.25 C ATOM 1222 CD ARG A 75 -1.322 18.589 -4.241 1.00 32.32 C ATOM 1223 NE ARG A 75 -0.870 19.920 -3.844 1.00 64.42 N ATOM 1224 CZ ARG A 75 -1.684 20.958 -3.695 1.00 15.30 C ATOM 1225 NH1 ARG A 75 -2.985 20.820 -3.908 1.00 13.24 N ATOM 1226 NH2 ARG A 75 -1.198 22.138 -3.331 1.00 4.22 N ATOM 0 H ARG A 75 0.503 15.059 -2.436 1.00 25.42 H new ATOM 0 HA ARG A 75 -0.618 16.977 -0.603 1.00 34.21 H new ATOM 0 HB2 ARG A 75 0.114 18.546 -2.136 1.00 2.01 H new ATOM 0 HB3 ARG A 75 1.220 17.229 -2.469 1.00 2.01 H new ATOM 0 HG2 ARG A 75 0.595 17.700 -4.620 1.00 72.25 H new ATOM 0 HG3 ARG A 75 -0.665 16.545 -4.236 1.00 72.25 H new ATOM 0 HD2 ARG A 75 -1.575 18.593 -5.301 1.00 32.32 H new ATOM 0 HD3 ARG A 75 -2.233 18.338 -3.697 1.00 32.32 H new ATOM 0 HE ARG A 75 0.126 20.060 -3.672 1.00 64.42 H new ATOM 0 HH11 ARG A 75 -3.363 19.915 -4.187 1.00 13.24 H new ATOM 0 HH12 ARG A 75 -3.608 21.619 -3.793 1.00 13.24 H new ATOM 0 HH21 ARG A 75 -0.198 22.248 -3.165 1.00 4.22 H new ATOM 0 HH22 ARG A 75 -1.825 22.935 -3.217 1.00 4.22 H new ATOM 1240 N PHE A 76 -2.477 15.586 -2.863 1.00 11.45 N ATOM 1241 CA PHE A 76 -3.838 15.466 -3.373 1.00 54.43 C ATOM 1242 C PHE A 76 -4.571 14.307 -2.705 1.00 25.43 C ATOM 1243 O PHE A 76 -3.946 13.384 -2.181 1.00 30.43 O ATOM 1244 CB PHE A 76 -3.820 15.266 -4.890 1.00 13.22 C ATOM 1245 CG PHE A 76 -3.702 16.549 -5.662 1.00 52.42 C ATOM 1246 CD1 PHE A 76 -4.608 17.578 -5.465 1.00 13.35 C ATOM 1247 CD2 PHE A 76 -2.686 16.725 -6.587 1.00 43.34 C ATOM 1248 CE1 PHE A 76 -4.502 18.760 -6.173 1.00 33.22 C ATOM 1249 CE2 PHE A 76 -2.574 17.905 -7.298 1.00 60.30 C ATOM 1250 CZ PHE A 76 -3.485 18.924 -7.092 1.00 63.34 C ATOM 0 H PHE A 76 -1.852 14.832 -3.148 1.00 11.45 H new ATOM 0 HA PHE A 76 -4.369 16.389 -3.140 1.00 54.43 H new ATOM 0 HB2 PHE A 76 -2.986 14.615 -5.153 1.00 13.22 H new ATOM 0 HB3 PHE A 76 -4.733 14.752 -5.192 1.00 13.22 H new ATOM 0 HD1 PHE A 76 -5.407 17.455 -4.749 1.00 13.35 H new ATOM 0 HD2 PHE A 76 -1.973 15.931 -6.755 1.00 43.34 H new ATOM 0 HE1 PHE A 76 -5.214 19.555 -6.007 1.00 33.22 H new ATOM 0 HE2 PHE A 76 -1.775 18.031 -8.014 1.00 60.30 H new ATOM 0 HZ PHE A 76 -3.401 19.846 -7.648 1.00 63.34 H new ATOM 1260 N ARG A 77 -5.899 14.361 -2.728 1.00 5.45 N ATOM 1261 CA ARG A 77 -6.716 13.318 -2.122 1.00 21.32 C ATOM 1262 C ARG A 77 -7.236 12.351 -3.182 1.00 24.41 C ATOM 1263 O ARG A 77 -7.540 12.751 -4.306 1.00 73.42 O ATOM 1264 CB ARG A 77 -7.890 13.936 -1.362 1.00 20.20 C ATOM 1265 CG ARG A 77 -7.467 14.928 -0.291 1.00 33.02 C ATOM 1266 CD ARG A 77 -7.388 16.343 -0.842 1.00 73.34 C ATOM 1267 NE ARG A 77 -8.659 17.052 -0.714 1.00 42.32 N ATOM 1268 CZ ARG A 77 -8.762 18.377 -0.694 1.00 31.41 C ATOM 1269 NH1 ARG A 77 -7.676 19.132 -0.795 1.00 31.53 N ATOM 1270 NH2 ARG A 77 -9.954 18.949 -0.574 1.00 45.34 N ATOM 0 H ARG A 77 -6.431 15.116 -3.160 1.00 5.45 H new ATOM 0 HA ARG A 77 -6.091 12.763 -1.422 1.00 21.32 H new ATOM 0 HB2 ARG A 77 -8.547 14.439 -2.072 1.00 20.20 H new ATOM 0 HB3 ARG A 77 -8.471 13.139 -0.898 1.00 20.20 H new ATOM 0 HG2 ARG A 77 -8.177 14.897 0.536 1.00 33.02 H new ATOM 0 HG3 ARG A 77 -6.496 14.638 0.112 1.00 33.02 H new ATOM 0 HD2 ARG A 77 -6.610 16.895 -0.314 1.00 73.34 H new ATOM 0 HD3 ARG A 77 -7.097 16.308 -1.892 1.00 73.34 H new ATOM 0 HE ARG A 77 -9.513 16.500 -0.636 1.00 42.32 H new ATOM 0 HH11 ARG A 77 -6.759 18.696 -0.888 1.00 31.53 H new ATOM 0 HH12 ARG A 77 -7.758 20.149 -0.779 1.00 31.53 H new ATOM 0 HH21 ARG A 77 -10.791 18.372 -0.497 1.00 45.34 H new ATOM 0 HH22 ARG A 77 -10.032 19.966 -0.559 1.00 45.34 H new ATOM 1284 N VAL A 78 -7.332 11.076 -2.818 1.00 34.13 N ATOM 1285 CA VAL A 78 -7.816 10.052 -3.736 1.00 44.34 C ATOM 1286 C VAL A 78 -8.638 8.999 -3.002 1.00 74.23 C ATOM 1287 O VAL A 78 -8.433 8.729 -1.819 1.00 1.22 O ATOM 1288 CB VAL A 78 -6.650 9.360 -4.468 1.00 54.42 C ATOM 1289 CG1 VAL A 78 -5.665 10.391 -4.998 1.00 24.55 C ATOM 1290 CG2 VAL A 78 -5.956 8.370 -3.545 1.00 45.04 C ATOM 0 H VAL A 78 -7.081 10.728 -1.893 1.00 34.13 H new ATOM 0 HA VAL A 78 -8.448 10.555 -4.468 1.00 44.34 H new ATOM 0 HB VAL A 78 -7.052 8.808 -5.318 1.00 54.42 H new ATOM 0 HG11 VAL A 78 -4.848 9.884 -5.512 1.00 24.55 H new ATOM 0 HG12 VAL A 78 -6.175 11.056 -5.695 1.00 24.55 H new ATOM 0 HG13 VAL A 78 -5.265 10.973 -4.167 1.00 24.55 H new ATOM 0 HG21 VAL A 78 -5.135 7.890 -4.078 1.00 45.04 H new ATOM 0 HG22 VAL A 78 -5.565 8.897 -2.674 1.00 45.04 H new ATOM 0 HG23 VAL A 78 -6.670 7.613 -3.221 1.00 45.04 H new ATOM 1300 N PRO A 79 -9.592 8.387 -3.721 1.00 11.52 N ATOM 1301 CA PRO A 79 -10.464 7.352 -3.159 1.00 1.11 C ATOM 1302 C PRO A 79 -9.714 6.057 -2.869 1.00 13.12 C ATOM 1303 O PRO A 79 -9.422 5.279 -3.778 1.00 55.22 O ATOM 1304 CB PRO A 79 -11.507 7.132 -4.258 1.00 14.55 C ATOM 1305 CG PRO A 79 -10.824 7.542 -5.516 1.00 25.33 C ATOM 1306 CD PRO A 79 -9.892 8.659 -5.137 1.00 4.13 C ATOM 0 HA PRO A 79 -10.890 7.653 -2.202 1.00 1.11 H new ATOM 0 HB2 PRO A 79 -11.823 6.090 -4.301 1.00 14.55 H new ATOM 0 HB3 PRO A 79 -12.401 7.729 -4.080 1.00 14.55 H new ATOM 0 HG2 PRO A 79 -10.275 6.707 -5.952 1.00 25.33 H new ATOM 0 HG3 PRO A 79 -11.546 7.873 -6.262 1.00 25.33 H new ATOM 0 HD2 PRO A 79 -8.989 8.653 -5.747 1.00 4.13 H new ATOM 0 HD3 PRO A 79 -10.360 9.635 -5.269 1.00 4.13 H new ATOM 1314 N LEU A 80 -9.406 5.829 -1.597 1.00 34.01 N ATOM 1315 CA LEU A 80 -8.690 4.626 -1.187 1.00 24.24 C ATOM 1316 C LEU A 80 -9.646 3.603 -0.580 1.00 51.21 C ATOM 1317 O LEU A 80 -10.825 3.890 -0.369 1.00 71.41 O ATOM 1318 CB LEU A 80 -7.596 4.979 -0.177 1.00 64.41 C ATOM 1319 CG LEU A 80 -8.056 5.715 1.082 1.00 33.31 C ATOM 1320 CD1 LEU A 80 -9.198 4.965 1.750 1.00 11.51 C ATOM 1321 CD2 LEU A 80 -6.895 5.894 2.049 1.00 51.44 C ATOM 0 H LEU A 80 -9.641 6.461 -0.832 1.00 34.01 H new ATOM 0 HA LEU A 80 -8.231 4.187 -2.073 1.00 24.24 H new ATOM 0 HB2 LEU A 80 -7.099 4.058 0.126 1.00 64.41 H new ATOM 0 HB3 LEU A 80 -6.849 5.593 -0.680 1.00 64.41 H new ATOM 0 HG LEU A 80 -8.417 6.702 0.792 1.00 33.31 H new ATOM 0 HD11 LEU A 80 -9.513 5.503 2.644 1.00 11.51 H new ATOM 0 HD12 LEU A 80 -10.037 4.889 1.058 1.00 11.51 H new ATOM 0 HD13 LEU A 80 -8.864 3.965 2.027 1.00 11.51 H new ATOM 0 HD21 LEU A 80 -7.241 6.420 2.939 1.00 51.44 H new ATOM 0 HD22 LEU A 80 -6.504 4.917 2.333 1.00 51.44 H new ATOM 0 HD23 LEU A 80 -6.107 6.474 1.568 1.00 51.44 H new ATOM 1333 N LEU A 81 -9.130 2.412 -0.301 1.00 11.30 N ATOM 1334 CA LEU A 81 -9.937 1.347 0.285 1.00 64.55 C ATOM 1335 C LEU A 81 -9.219 0.707 1.468 1.00 21.03 C ATOM 1336 O LEU A 81 -8.017 0.447 1.411 1.00 3.12 O ATOM 1337 CB LEU A 81 -10.254 0.284 -0.770 1.00 12.01 C ATOM 1338 CG LEU A 81 -11.574 0.459 -1.524 1.00 4.23 C ATOM 1339 CD1 LEU A 81 -12.751 0.099 -0.631 1.00 70.42 C ATOM 1340 CD2 LEU A 81 -11.708 1.885 -2.038 1.00 2.21 C ATOM 0 H LEU A 81 -8.157 2.159 -0.471 1.00 11.30 H new ATOM 0 HA LEU A 81 -10.868 1.785 0.644 1.00 64.55 H new ATOM 0 HB2 LEU A 81 -9.442 0.269 -1.497 1.00 12.01 H new ATOM 0 HB3 LEU A 81 -10.263 -0.691 -0.283 1.00 12.01 H new ATOM 0 HG LEU A 81 -11.575 -0.216 -2.380 1.00 4.23 H new ATOM 0 HD11 LEU A 81 -13.681 0.230 -1.184 1.00 70.42 H new ATOM 0 HD12 LEU A 81 -12.661 -0.939 -0.312 1.00 70.42 H new ATOM 0 HD13 LEU A 81 -12.756 0.748 0.244 1.00 70.42 H new ATOM 0 HD21 LEU A 81 -12.652 1.992 -2.572 1.00 2.21 H new ATOM 0 HD22 LEU A 81 -11.686 2.578 -1.197 1.00 2.21 H new ATOM 0 HD23 LEU A 81 -10.882 2.107 -2.714 1.00 2.21 H new ATOM 1352 N HIS A 82 -9.964 0.453 2.538 1.00 15.42 N ATOM 1353 CA HIS A 82 -9.399 -0.159 3.736 1.00 21.23 C ATOM 1354 C HIS A 82 -9.865 -1.606 3.877 1.00 41.10 C ATOM 1355 O HIS A 82 -11.061 -1.892 3.822 1.00 55.11 O ATOM 1356 CB HIS A 82 -9.794 0.640 4.978 1.00 62.31 C ATOM 1357 CG HIS A 82 -8.817 1.717 5.333 1.00 44.30 C ATOM 1358 ND1 HIS A 82 -7.712 1.499 6.130 1.00 32.25 N ATOM 1359 CD2 HIS A 82 -8.780 3.027 4.993 1.00 34.21 C ATOM 1360 CE1 HIS A 82 -7.041 2.627 6.266 1.00 53.43 C ATOM 1361 NE2 HIS A 82 -7.668 3.571 5.586 1.00 31.11 N ATOM 0 H HIS A 82 -10.961 0.661 2.601 1.00 15.42 H new ATOM 0 HA HIS A 82 -8.313 -0.152 3.640 1.00 21.23 H new ATOM 0 HB2 HIS A 82 -10.774 1.089 4.815 1.00 62.31 H new ATOM 0 HB3 HIS A 82 -9.893 -0.042 5.822 1.00 62.31 H new ATOM 0 HD2 HIS A 82 -9.493 3.547 4.371 1.00 34.21 H new ATOM 0 HE1 HIS A 82 -6.133 2.757 6.836 1.00 53.43 H new ATOM 0 HE2 HIS A 82 -7.374 4.545 5.514 1.00 31.11 H new ATOM 1370 N CYS A 83 -8.912 -2.514 4.059 1.00 40.21 N ATOM 1371 CA CYS A 83 -9.224 -3.930 4.207 1.00 4.21 C ATOM 1372 C CYS A 83 -8.682 -4.471 5.528 1.00 41.42 C ATOM 1373 O CYS A 83 -7.675 -5.179 5.555 1.00 63.41 O ATOM 1374 CB CYS A 83 -8.639 -4.727 3.039 1.00 25.33 C ATOM 1375 SG CYS A 83 -9.678 -4.726 1.543 1.00 15.22 S ATOM 0 H CYS A 83 -7.917 -2.294 4.107 1.00 40.21 H new ATOM 0 HA CYS A 83 -10.308 -4.040 4.207 1.00 4.21 H new ATOM 0 HB2 CYS A 83 -7.660 -4.318 2.789 1.00 25.33 H new ATOM 0 HB3 CYS A 83 -8.482 -5.757 3.359 1.00 25.33 H new ATOM 1380 N ASP A 84 -9.358 -4.132 6.620 1.00 64.11 N ATOM 1381 CA ASP A 84 -8.946 -4.585 7.944 1.00 72.43 C ATOM 1382 C ASP A 84 -9.442 -6.002 8.212 1.00 0.43 C ATOM 1383 O ASP A 84 -10.635 -6.287 8.093 1.00 22.31 O ATOM 1384 CB ASP A 84 -9.476 -3.633 9.019 1.00 73.40 C ATOM 1385 CG ASP A 84 -9.226 -4.149 10.422 1.00 75.12 C ATOM 1386 OD1 ASP A 84 -8.249 -4.904 10.612 1.00 35.12 O ATOM 1387 OD2 ASP A 84 -10.006 -3.796 11.331 1.00 53.24 O ATOM 0 H ASP A 84 -10.193 -3.546 6.615 1.00 64.11 H new ATOM 0 HA ASP A 84 -7.857 -4.589 7.978 1.00 72.43 H new ATOM 0 HB2 ASP A 84 -9.002 -2.659 8.903 1.00 73.40 H new ATOM 0 HB3 ASP A 84 -10.546 -3.486 8.874 1.00 73.40 H new ATOM 1392 N LEU A 85 -8.521 -6.887 8.576 1.00 64.11 N ATOM 1393 CA LEU A 85 -8.864 -8.277 8.861 1.00 43.55 C ATOM 1394 C LEU A 85 -10.010 -8.359 9.862 1.00 3.42 C ATOM 1395 O LEU A 85 -9.832 -8.081 11.049 1.00 2.30 O ATOM 1396 CB LEU A 85 -7.643 -9.022 9.401 1.00 20.32 C ATOM 1397 CG LEU A 85 -7.731 -10.550 9.391 1.00 11.41 C ATOM 1398 CD1 LEU A 85 -7.398 -11.094 8.011 1.00 61.04 C ATOM 1399 CD2 LEU A 85 -6.801 -11.144 10.439 1.00 75.34 C ATOM 0 H LEU A 85 -7.530 -6.667 8.681 1.00 64.11 H new ATOM 0 HA LEU A 85 -9.185 -8.746 7.931 1.00 43.55 H new ATOM 0 HB2 LEU A 85 -6.773 -8.724 8.816 1.00 20.32 H new ATOM 0 HB3 LEU A 85 -7.466 -8.695 10.426 1.00 20.32 H new ATOM 0 HG LEU A 85 -8.753 -10.838 9.636 1.00 11.41 H new ATOM 0 HD11 LEU A 85 -7.466 -12.182 8.023 1.00 61.04 H new ATOM 0 HD12 LEU A 85 -8.103 -10.694 7.282 1.00 61.04 H new ATOM 0 HD13 LEU A 85 -6.386 -10.796 7.737 1.00 61.04 H new ATOM 0 HD21 LEU A 85 -6.876 -12.231 10.418 1.00 75.34 H new ATOM 0 HD22 LEU A 85 -5.774 -10.847 10.225 1.00 75.34 H new ATOM 0 HD23 LEU A 85 -7.085 -10.780 11.426 1.00 75.34 H new ATOM 1411 N ILE A 86 -11.185 -8.746 9.379 1.00 74.15 N ATOM 1412 CA ILE A 86 -12.360 -8.869 10.233 1.00 2.04 C ATOM 1413 C ILE A 86 -12.198 -10.012 11.230 1.00 44.43 C ATOM 1414 O ILE A 86 -13.056 -10.231 12.083 1.00 21.40 O ATOM 1415 CB ILE A 86 -13.637 -9.103 9.405 1.00 65.41 C ATOM 1416 CG1 ILE A 86 -13.812 -7.990 8.371 1.00 72.14 C ATOM 1417 CG2 ILE A 86 -14.852 -9.184 10.316 1.00 34.20 C ATOM 1418 CD1 ILE A 86 -14.545 -8.432 7.123 1.00 12.03 C ATOM 0 H ILE A 86 -11.349 -8.980 8.400 1.00 74.15 H new ATOM 0 HA ILE A 86 -12.456 -7.928 10.774 1.00 2.04 H new ATOM 0 HB ILE A 86 -13.541 -10.051 8.876 1.00 65.41 H new ATOM 0 HG12 ILE A 86 -14.356 -7.163 8.828 1.00 72.14 H new ATOM 0 HG13 ILE A 86 -12.830 -7.609 8.090 1.00 72.14 H new ATOM 0 HG21 ILE A 86 -15.747 -9.350 9.716 1.00 34.20 H new ATOM 0 HG22 ILE A 86 -14.727 -10.010 11.016 1.00 34.20 H new ATOM 0 HG23 ILE A 86 -14.954 -8.251 10.870 1.00 34.20 H new ATOM 0 HD11 ILE A 86 -14.632 -7.591 6.435 1.00 12.03 H new ATOM 0 HD12 ILE A 86 -13.991 -9.238 6.642 1.00 12.03 H new ATOM 0 HD13 ILE A 86 -15.540 -8.786 7.392 1.00 12.03 H new ATOM 1430 N ASN A 87 -11.088 -10.735 11.117 1.00 0.40 N ATOM 1431 CA ASN A 87 -10.811 -11.854 12.010 1.00 34.31 C ATOM 1432 C ASN A 87 -9.645 -11.533 12.940 1.00 71.50 C ATOM 1433 O ASN A 87 -8.501 -11.917 12.697 1.00 34.14 O ATOM 1434 CB ASN A 87 -10.499 -13.115 11.199 1.00 11.32 C ATOM 1435 CG ASN A 87 -11.710 -13.634 10.449 1.00 53.55 C ATOM 1436 OD1 ASN A 87 -11.469 -14.295 9.323 1.00 71.23 O flip ATOM 1437 ND2 ASN A 87 -12.849 -13.442 10.877 1.00 73.51 N flip ATOM 0 H ASN A 87 -10.366 -10.566 10.416 1.00 0.40 H new ATOM 0 HA ASN A 87 -11.699 -12.030 12.617 1.00 34.31 H new ATOM 0 HB2 ASN A 87 -9.701 -12.899 10.489 1.00 11.32 H new ATOM 0 HB3 ASN A 87 -10.129 -13.892 11.868 1.00 11.32 H new ATOM 0 HD21 ASN A 87 -12.987 -12.928 11.747 1.00 73.51 H new ATOM 0 HD22 ASN A 87 -13.654 -13.797 10.361 1.00 73.51 H new ATOM 1444 N PRO A 88 -9.941 -10.813 14.032 1.00 55.12 N ATOM 1445 CA PRO A 88 -8.932 -10.424 15.022 1.00 44.01 C ATOM 1446 C PRO A 88 -8.421 -11.614 15.826 1.00 33.40 C ATOM 1447 O PRO A 88 -9.158 -12.206 16.613 1.00 32.23 O ATOM 1448 CB PRO A 88 -9.683 -9.448 15.930 1.00 74.23 C ATOM 1449 CG PRO A 88 -11.116 -9.832 15.796 1.00 11.13 C ATOM 1450 CD PRO A 88 -11.284 -10.321 14.385 1.00 72.53 C ATOM 0 HA PRO A 88 -8.046 -9.995 14.554 1.00 44.01 H new ATOM 0 HB2 PRO A 88 -9.346 -9.530 16.963 1.00 74.23 H new ATOM 0 HB3 PRO A 88 -9.519 -8.415 15.622 1.00 74.23 H new ATOM 0 HG2 PRO A 88 -11.380 -10.610 16.512 1.00 11.13 H new ATOM 0 HG3 PRO A 88 -11.768 -8.981 15.994 1.00 11.13 H new ATOM 0 HD2 PRO A 88 -12.031 -11.112 14.320 1.00 72.53 H new ATOM 0 HD3 PRO A 88 -11.607 -9.521 13.718 1.00 72.53 H new ATOM 1458 N GLY A 89 -7.154 -11.961 15.622 1.00 2.32 N ATOM 1459 CA GLY A 89 -6.566 -13.079 16.337 1.00 70.11 C ATOM 1460 C GLY A 89 -6.404 -14.306 15.461 1.00 15.02 C ATOM 1461 O GLY A 89 -5.772 -15.283 15.861 1.00 1.25 O ATOM 0 H GLY A 89 -6.524 -11.488 14.974 1.00 2.32 H new ATOM 0 HA2 GLY A 89 -5.592 -12.784 16.728 1.00 70.11 H new ATOM 0 HA3 GLY A 89 -7.192 -13.328 17.194 1.00 70.11 H new ATOM 1465 N ALA A 90 -6.977 -14.255 14.264 1.00 74.22 N ATOM 1466 CA ALA A 90 -6.892 -15.370 13.329 1.00 61.50 C ATOM 1467 C ALA A 90 -5.690 -15.221 12.403 1.00 3.41 C ATOM 1468 O ALA A 90 -5.379 -14.121 11.947 1.00 0.21 O ATOM 1469 CB ALA A 90 -8.175 -15.478 12.517 1.00 74.33 C ATOM 0 H ALA A 90 -7.505 -13.454 13.918 1.00 74.22 H new ATOM 0 HA ALA A 90 -6.762 -16.285 13.906 1.00 61.50 H new ATOM 0 HB1 ALA A 90 -8.097 -16.315 11.823 1.00 74.33 H new ATOM 0 HB2 ALA A 90 -9.018 -15.641 13.189 1.00 74.33 H new ATOM 0 HB3 ALA A 90 -8.330 -14.556 11.957 1.00 74.33 H new ATOM 1475 N GLN A 91 -5.017 -16.335 12.131 1.00 43.32 N ATOM 1476 CA GLN A 91 -3.847 -16.326 11.260 1.00 73.02 C ATOM 1477 C GLN A 91 -3.938 -17.433 10.215 1.00 52.15 C ATOM 1478 O GLN A 91 -3.161 -18.387 10.237 1.00 55.51 O ATOM 1479 CB GLN A 91 -2.570 -16.492 12.086 1.00 53.43 C ATOM 1480 CG GLN A 91 -1.354 -15.820 11.467 1.00 15.24 C ATOM 1481 CD GLN A 91 -0.152 -15.825 12.390 1.00 10.45 C ATOM 1482 OE1 GLN A 91 -0.097 -15.069 13.360 1.00 1.53 O ATOM 1483 NE2 GLN A 91 0.820 -16.680 12.094 1.00 61.34 N ATOM 0 H GLN A 91 -5.261 -17.254 12.501 1.00 43.32 H new ATOM 0 HA GLN A 91 -3.816 -15.366 10.744 1.00 73.02 H new ATOM 0 HB2 GLN A 91 -2.735 -16.080 13.082 1.00 53.43 H new ATOM 0 HB3 GLN A 91 -2.363 -17.555 12.211 1.00 53.43 H new ATOM 0 HG2 GLN A 91 -1.096 -16.329 10.538 1.00 15.24 H new ATOM 0 HG3 GLN A 91 -1.604 -14.791 11.208 1.00 15.24 H new ATOM 0 HE21 GLN A 91 0.733 -17.289 11.280 1.00 61.34 H new ATOM 0 HE22 GLN A 91 1.653 -16.728 12.680 1.00 61.34 H new ATOM 1492 N ASN A 92 -4.892 -17.298 9.300 1.00 62.13 N ATOM 1493 CA ASN A 92 -5.085 -18.287 8.246 1.00 51.13 C ATOM 1494 C ASN A 92 -5.596 -17.628 6.968 1.00 63.34 C ATOM 1495 O ASN A 92 -6.738 -17.172 6.905 1.00 30.05 O ATOM 1496 CB ASN A 92 -6.069 -19.365 8.704 1.00 23.22 C ATOM 1497 CG ASN A 92 -5.747 -19.891 10.089 1.00 45.11 C ATOM 1498 OD1 ASN A 92 -6.437 -19.580 11.059 1.00 1.31 O ATOM 1499 ND2 ASN A 92 -4.692 -20.693 10.187 1.00 70.42 N ATOM 0 H ASN A 92 -5.543 -16.514 9.267 1.00 62.13 H new ATOM 0 HA ASN A 92 -4.121 -18.749 8.035 1.00 51.13 H new ATOM 0 HB2 ASN A 92 -7.079 -18.956 8.699 1.00 23.22 H new ATOM 0 HB3 ASN A 92 -6.056 -20.191 7.993 1.00 23.22 H new ATOM 0 HD21 ASN A 92 -4.426 -21.077 11.094 1.00 70.42 H new ATOM 0 HD22 ASN A 92 -4.148 -20.924 9.356 1.00 70.42 H new ATOM 1506 N ILE A 93 -4.741 -17.581 5.951 1.00 64.31 N ATOM 1507 CA ILE A 93 -5.106 -16.979 4.674 1.00 22.24 C ATOM 1508 C ILE A 93 -6.306 -17.687 4.056 1.00 33.23 C ATOM 1509 O ILE A 93 -6.955 -17.159 3.152 1.00 5.24 O ATOM 1510 CB ILE A 93 -3.932 -17.019 3.678 1.00 72.40 C ATOM 1511 CG1 ILE A 93 -3.406 -18.448 3.531 1.00 3.35 C ATOM 1512 CG2 ILE A 93 -2.822 -16.084 4.130 1.00 3.52 C ATOM 1513 CD1 ILE A 93 -2.653 -18.686 2.242 1.00 3.55 C ATOM 0 H ILE A 93 -3.792 -17.952 5.987 1.00 64.31 H new ATOM 0 HA ILE A 93 -5.365 -15.940 4.877 1.00 22.24 H new ATOM 0 HB ILE A 93 -4.290 -16.683 2.705 1.00 72.40 H new ATOM 0 HG12 ILE A 93 -2.750 -18.673 4.372 1.00 3.35 H new ATOM 0 HG13 ILE A 93 -4.244 -19.142 3.586 1.00 3.35 H new ATOM 0 HG21 ILE A 93 -2.000 -16.124 3.416 1.00 3.52 H new ATOM 0 HG22 ILE A 93 -3.205 -15.065 4.186 1.00 3.52 H new ATOM 0 HG23 ILE A 93 -2.464 -16.392 5.113 1.00 3.52 H new ATOM 0 HD11 ILE A 93 -2.310 -19.720 2.207 1.00 3.55 H new ATOM 0 HD12 ILE A 93 -3.311 -18.493 1.395 1.00 3.55 H new ATOM 0 HD13 ILE A 93 -1.794 -18.017 2.194 1.00 3.55 H new ATOM 1525 N SER A 94 -6.600 -18.885 4.550 1.00 22.34 N ATOM 1526 CA SER A 94 -7.722 -19.668 4.045 1.00 2.43 C ATOM 1527 C SER A 94 -9.036 -19.190 4.657 1.00 30.01 C ATOM 1528 O SER A 94 -10.105 -19.370 4.076 1.00 50.21 O ATOM 1529 CB SER A 94 -7.515 -21.153 4.351 1.00 74.11 C ATOM 1530 OG SER A 94 -7.594 -21.403 5.743 1.00 1.51 O ATOM 0 H SER A 94 -6.076 -19.335 5.300 1.00 22.34 H new ATOM 0 HA SER A 94 -7.772 -19.531 2.965 1.00 2.43 H new ATOM 0 HB2 SER A 94 -8.268 -21.743 3.829 1.00 74.11 H new ATOM 0 HB3 SER A 94 -6.543 -21.473 3.976 1.00 74.11 H new ATOM 0 HG SER A 94 -7.460 -22.359 5.912 1.00 1.51 H new ATOM 1536 N ASN A 95 -8.945 -18.579 5.834 1.00 14.04 N ATOM 1537 CA ASN A 95 -10.126 -18.076 6.526 1.00 53.43 C ATOM 1538 C ASN A 95 -9.918 -16.633 6.978 1.00 40.52 C ATOM 1539 O ASN A 95 -10.570 -16.163 7.910 1.00 13.01 O ATOM 1540 CB ASN A 95 -10.451 -18.958 7.733 1.00 53.14 C ATOM 1541 CG ASN A 95 -11.741 -18.549 8.417 1.00 34.23 C ATOM 1542 OD1 ASN A 95 -12.728 -18.216 7.760 1.00 24.32 O ATOM 1543 ND2 ASN A 95 -11.740 -18.572 9.745 1.00 3.51 N ATOM 0 H ASN A 95 -8.067 -18.420 6.328 1.00 14.04 H new ATOM 0 HA ASN A 95 -10.964 -18.103 5.829 1.00 53.43 H new ATOM 0 HB2 ASN A 95 -10.527 -19.996 7.411 1.00 53.14 H new ATOM 0 HB3 ASN A 95 -9.631 -18.906 8.449 1.00 53.14 H new ATOM 0 HD21 ASN A 95 -12.579 -18.307 10.260 1.00 3.51 H new ATOM 0 HD22 ASN A 95 -10.900 -18.855 10.250 1.00 3.51 H new ATOM 1550 N CYS A 96 -9.006 -15.935 6.310 1.00 64.34 N ATOM 1551 CA CYS A 96 -8.710 -14.546 6.640 1.00 23.43 C ATOM 1552 C CYS A 96 -9.661 -13.600 5.912 1.00 4.55 C ATOM 1553 O CYS A 96 -9.521 -13.366 4.712 1.00 25.23 O ATOM 1554 CB CYS A 96 -7.262 -14.211 6.279 1.00 43.03 C ATOM 1555 SG CYS A 96 -6.095 -14.357 7.669 1.00 10.34 S ATOM 0 H CYS A 96 -8.458 -16.309 5.535 1.00 64.34 H new ATOM 0 HA CYS A 96 -8.848 -14.416 7.713 1.00 23.43 H new ATOM 0 HB2 CYS A 96 -6.937 -14.872 5.475 1.00 43.03 H new ATOM 0 HB3 CYS A 96 -7.222 -13.193 5.891 1.00 43.03 H new ATOM 1560 N ARG A 97 -10.626 -13.059 6.648 1.00 11.02 N ATOM 1561 CA ARG A 97 -11.600 -12.138 6.074 1.00 64.41 C ATOM 1562 C ARG A 97 -11.132 -10.693 6.217 1.00 11.01 C ATOM 1563 O ARG A 97 -10.531 -10.321 7.225 1.00 24.14 O ATOM 1564 CB ARG A 97 -12.961 -12.315 6.749 1.00 50.20 C ATOM 1565 CG ARG A 97 -13.661 -13.612 6.378 1.00 2.14 C ATOM 1566 CD ARG A 97 -15.085 -13.649 6.910 1.00 52.44 C ATOM 1567 NE ARG A 97 -15.612 -15.010 6.970 1.00 12.15 N ATOM 1568 CZ ARG A 97 -16.779 -15.322 7.524 1.00 4.20 C ATOM 1569 NH1 ARG A 97 -17.535 -14.375 8.062 1.00 60.42 N ATOM 1570 NH2 ARG A 97 -17.191 -16.583 7.539 1.00 25.21 N ATOM 0 H ARG A 97 -10.754 -13.242 7.643 1.00 11.02 H new ATOM 0 HA ARG A 97 -11.697 -12.366 5.013 1.00 64.41 H new ATOM 0 HB2 ARG A 97 -12.828 -12.280 7.830 1.00 50.20 H new ATOM 0 HB3 ARG A 97 -13.602 -11.476 6.480 1.00 50.20 H new ATOM 0 HG2 ARG A 97 -13.674 -13.722 5.294 1.00 2.14 H new ATOM 0 HG3 ARG A 97 -13.100 -14.457 6.778 1.00 2.14 H new ATOM 0 HD2 ARG A 97 -15.112 -13.206 7.905 1.00 52.44 H new ATOM 0 HD3 ARG A 97 -15.726 -13.040 6.273 1.00 52.44 H new ATOM 0 HE ARG A 97 -15.054 -15.762 6.565 1.00 12.15 H new ATOM 0 HH11 ARG A 97 -17.221 -13.404 8.051 1.00 60.42 H new ATOM 0 HH12 ARG A 97 -18.430 -14.617 8.487 1.00 60.42 H new ATOM 0 HH21 ARG A 97 -16.612 -17.314 7.125 1.00 25.21 H new ATOM 0 HH22 ARG A 97 -18.087 -16.822 7.964 1.00 25.21 H new ATOM 1584 N TYR A 98 -11.413 -9.883 5.203 1.00 50.24 N ATOM 1585 CA TYR A 98 -11.018 -8.479 5.214 1.00 33.31 C ATOM 1586 C TYR A 98 -12.242 -7.569 5.154 1.00 3.42 C ATOM 1587 O TYR A 98 -13.204 -7.850 4.440 1.00 21.14 O ATOM 1588 CB TYR A 98 -10.088 -8.179 4.038 1.00 72.24 C ATOM 1589 CG TYR A 98 -8.638 -8.503 4.315 1.00 3.32 C ATOM 1590 CD1 TYR A 98 -8.038 -8.125 5.510 1.00 0.50 C ATOM 1591 CD2 TYR A 98 -7.867 -9.186 3.383 1.00 50.21 C ATOM 1592 CE1 TYR A 98 -6.712 -8.418 5.768 1.00 15.41 C ATOM 1593 CE2 TYR A 98 -6.541 -9.484 3.632 1.00 14.44 C ATOM 1594 CZ TYR A 98 -5.968 -9.098 4.826 1.00 31.15 C ATOM 1595 OH TYR A 98 -4.648 -9.392 5.079 1.00 23.03 O ATOM 0 H TYR A 98 -11.913 -10.174 4.363 1.00 50.24 H new ATOM 0 HA TYR A 98 -10.487 -8.285 6.146 1.00 33.31 H new ATOM 0 HB2 TYR A 98 -10.419 -8.748 3.169 1.00 72.24 H new ATOM 0 HB3 TYR A 98 -10.173 -7.124 3.779 1.00 72.24 H new ATOM 0 HD1 TYR A 98 -8.618 -7.593 6.250 1.00 0.50 H new ATOM 0 HD2 TYR A 98 -8.312 -9.490 2.447 1.00 50.21 H new ATOM 0 HE1 TYR A 98 -6.261 -8.116 6.702 1.00 15.41 H new ATOM 0 HE2 TYR A 98 -5.956 -10.016 2.896 1.00 14.44 H new ATOM 0 HH TYR A 98 -4.500 -9.427 6.047 1.00 23.03 H new ATOM 1605 N ALA A 99 -12.196 -6.477 5.909 1.00 54.32 N ATOM 1606 CA ALA A 99 -13.299 -5.523 5.942 1.00 43.24 C ATOM 1607 C ALA A 99 -13.039 -4.354 4.999 1.00 54.43 C ATOM 1608 O ALA A 99 -12.158 -3.529 5.243 1.00 24.13 O ATOM 1609 CB ALA A 99 -13.521 -5.021 7.360 1.00 23.12 C ATOM 0 H ALA A 99 -11.407 -6.230 6.506 1.00 54.32 H new ATOM 0 HA ALA A 99 -14.201 -6.035 5.606 1.00 43.24 H new ATOM 0 HB1 ALA A 99 -14.347 -4.310 7.369 1.00 23.12 H new ATOM 0 HB2 ALA A 99 -13.759 -5.862 8.011 1.00 23.12 H new ATOM 0 HB3 ALA A 99 -12.616 -4.530 7.718 1.00 23.12 H new ATOM 1615 N ASP A 100 -13.812 -4.286 3.920 1.00 32.31 N ATOM 1616 CA ASP A 100 -13.667 -3.216 2.940 1.00 31.03 C ATOM 1617 C ASP A 100 -14.301 -1.924 3.448 1.00 34.23 C ATOM 1618 O ASP A 100 -15.404 -1.937 3.996 1.00 44.51 O ATOM 1619 CB ASP A 100 -14.303 -3.623 1.610 1.00 4.23 C ATOM 1620 CG ASP A 100 -13.615 -2.984 0.421 1.00 74.13 C ATOM 1621 OD1 ASP A 100 -12.410 -2.675 0.526 1.00 22.02 O ATOM 1622 OD2 ASP A 100 -14.283 -2.793 -0.618 1.00 42.51 O ATOM 0 H ASP A 100 -14.546 -4.960 3.702 1.00 32.31 H new ATOM 0 HA ASP A 100 -12.602 -3.041 2.785 1.00 31.03 H new ATOM 0 HB2 ASP A 100 -14.264 -4.708 1.509 1.00 4.23 H new ATOM 0 HB3 ASP A 100 -15.356 -3.340 1.612 1.00 4.23 H new ATOM 1627 N ARG A 101 -13.597 -0.812 3.261 1.00 35.10 N ATOM 1628 CA ARG A 101 -14.091 0.486 3.702 1.00 14.21 C ATOM 1629 C ARG A 101 -13.569 1.601 2.799 1.00 33.22 C ATOM 1630 O ARG A 101 -12.405 1.993 2.865 1.00 3.42 O ATOM 1631 CB ARG A 101 -13.672 0.750 5.150 1.00 55.32 C ATOM 1632 CG ARG A 101 -14.656 1.617 5.919 1.00 11.23 C ATOM 1633 CD ARG A 101 -14.318 3.094 5.789 1.00 45.01 C ATOM 1634 NE ARG A 101 -14.764 3.863 6.948 1.00 61.20 N ATOM 1635 CZ ARG A 101 -14.195 3.782 8.146 1.00 54.21 C ATOM 1636 NH1 ARG A 101 -13.164 2.974 8.341 1.00 23.03 N ATOM 1637 NH2 ARG A 101 -14.659 4.514 9.152 1.00 52.34 N ATOM 0 H ARG A 101 -12.684 -0.785 2.808 1.00 35.10 H new ATOM 0 HA ARG A 101 -15.179 0.472 3.643 1.00 14.21 H new ATOM 0 HB2 ARG A 101 -13.559 -0.203 5.667 1.00 55.32 H new ATOM 0 HB3 ARG A 101 -12.695 1.232 5.155 1.00 55.32 H new ATOM 0 HG2 ARG A 101 -15.666 1.440 5.548 1.00 11.23 H new ATOM 0 HG3 ARG A 101 -14.648 1.332 6.971 1.00 11.23 H new ATOM 0 HD2 ARG A 101 -13.241 3.210 5.670 1.00 45.01 H new ATOM 0 HD3 ARG A 101 -14.783 3.494 4.888 1.00 45.01 H new ATOM 0 HE ARG A 101 -15.555 4.496 6.831 1.00 61.20 H new ATOM 0 HH11 ARG A 101 -12.804 2.411 7.570 1.00 23.03 H new ATOM 0 HH12 ARG A 101 -12.730 2.914 9.262 1.00 23.03 H new ATOM 0 HH21 ARG A 101 -15.452 5.138 9.005 1.00 52.34 H new ATOM 0 HH22 ARG A 101 -14.222 4.452 10.072 1.00 52.34 H new ATOM 1651 N PRO A 102 -14.452 2.124 1.935 1.00 43.44 N ATOM 1652 CA PRO A 102 -14.103 3.200 1.002 1.00 33.23 C ATOM 1653 C PRO A 102 -13.864 4.528 1.713 1.00 14.44 C ATOM 1654 O PRO A 102 -14.397 4.770 2.795 1.00 74.31 O ATOM 1655 CB PRO A 102 -15.332 3.294 0.094 1.00 62.34 C ATOM 1656 CG PRO A 102 -16.454 2.767 0.919 1.00 32.04 C ATOM 1657 CD PRO A 102 -15.857 1.706 1.801 1.00 21.51 C ATOM 0 HA PRO A 102 -13.176 2.992 0.468 1.00 33.23 H new ATOM 0 HB2 PRO A 102 -15.518 4.322 -0.216 1.00 62.34 H new ATOM 0 HB3 PRO A 102 -15.199 2.707 -0.814 1.00 62.34 H new ATOM 0 HG2 PRO A 102 -16.907 3.560 1.514 1.00 32.04 H new ATOM 0 HG3 PRO A 102 -17.241 2.353 0.289 1.00 32.04 H new ATOM 0 HD2 PRO A 102 -16.357 1.660 2.769 1.00 21.51 H new ATOM 0 HD3 PRO A 102 -15.941 0.716 1.352 1.00 21.51 H new ATOM 1665 N GLY A 103 -13.058 5.387 1.097 1.00 52.12 N ATOM 1666 CA GLY A 103 -12.763 6.681 1.685 1.00 24.12 C ATOM 1667 C GLY A 103 -11.927 7.556 0.772 1.00 33.23 C ATOM 1668 O GLY A 103 -11.308 7.067 -0.173 1.00 24.21 O ATOM 0 H GLY A 103 -12.604 5.210 0.201 1.00 52.12 H new ATOM 0 HA2 GLY A 103 -13.697 7.192 1.918 1.00 24.12 H new ATOM 0 HA3 GLY A 103 -12.235 6.536 2.628 1.00 24.12 H new ATOM 1672 N ARG A 104 -11.910 8.854 1.054 1.00 51.25 N ATOM 1673 CA ARG A 104 -11.147 9.801 0.248 1.00 11.23 C ATOM 1674 C ARG A 104 -10.214 10.631 1.124 1.00 13.23 C ATOM 1675 O ARG A 104 -10.661 11.498 1.876 1.00 44.43 O ATOM 1676 CB ARG A 104 -12.091 10.722 -0.526 1.00 15.21 C ATOM 1677 CG ARG A 104 -11.439 11.396 -1.723 1.00 12.44 C ATOM 1678 CD ARG A 104 -12.311 12.513 -2.276 1.00 45.20 C ATOM 1679 NE ARG A 104 -12.129 13.763 -1.544 1.00 51.41 N ATOM 1680 CZ ARG A 104 -12.633 14.927 -1.940 1.00 43.24 C ATOM 1681 NH1 ARG A 104 -13.345 14.999 -3.057 1.00 31.53 N ATOM 1682 NH2 ARG A 104 -12.424 16.021 -1.220 1.00 74.42 N ATOM 0 H ARG A 104 -12.415 9.275 1.834 1.00 51.25 H new ATOM 0 HA ARG A 104 -10.544 9.233 -0.460 1.00 11.23 H new ATOM 0 HB2 ARG A 104 -12.949 10.144 -0.868 1.00 15.21 H new ATOM 0 HB3 ARG A 104 -12.472 11.488 0.149 1.00 15.21 H new ATOM 0 HG2 ARG A 104 -10.470 11.800 -1.431 1.00 12.44 H new ATOM 0 HG3 ARG A 104 -11.255 10.657 -2.503 1.00 12.44 H new ATOM 0 HD2 ARG A 104 -12.073 12.671 -3.328 1.00 45.20 H new ATOM 0 HD3 ARG A 104 -13.358 12.213 -2.227 1.00 45.20 H new ATOM 0 HE ARG A 104 -11.585 13.742 -0.681 1.00 51.41 H new ATOM 0 HH11 ARG A 104 -13.507 14.160 -3.614 1.00 31.53 H new ATOM 0 HH12 ARG A 104 -13.731 15.894 -3.359 1.00 31.53 H new ATOM 0 HH21 ARG A 104 -11.876 15.969 -0.361 1.00 74.42 H new ATOM 0 HH22 ARG A 104 -12.811 16.914 -1.525 1.00 74.42 H new ATOM 1696 N ARG A 105 -8.916 10.360 1.022 1.00 34.53 N ATOM 1697 CA ARG A 105 -7.921 11.081 1.806 1.00 63.11 C ATOM 1698 C ARG A 105 -6.523 10.875 1.230 1.00 70.30 C ATOM 1699 O ARG A 105 -6.354 10.224 0.198 1.00 54.52 O ATOM 1700 CB ARG A 105 -7.957 10.618 3.264 1.00 50.43 C ATOM 1701 CG ARG A 105 -8.749 11.540 4.176 1.00 73.34 C ATOM 1702 CD ARG A 105 -9.428 10.766 5.295 1.00 11.31 C ATOM 1703 NE ARG A 105 -10.525 11.521 5.895 1.00 12.23 N ATOM 1704 CZ ARG A 105 -11.176 11.131 6.986 1.00 71.23 C ATOM 1705 NH1 ARG A 105 -10.842 10.000 7.592 1.00 2.12 N ATOM 1706 NH2 ARG A 105 -12.164 11.872 7.472 1.00 44.44 N ATOM 0 H ARG A 105 -8.530 9.646 0.404 1.00 34.53 H new ATOM 0 HA ARG A 105 -8.160 12.144 1.763 1.00 63.11 H new ATOM 0 HB2 ARG A 105 -8.389 9.618 3.308 1.00 50.43 H new ATOM 0 HB3 ARG A 105 -6.936 10.541 3.637 1.00 50.43 H new ATOM 0 HG2 ARG A 105 -8.084 12.291 4.603 1.00 73.34 H new ATOM 0 HG3 ARG A 105 -9.500 12.073 3.593 1.00 73.34 H new ATOM 0 HD2 ARG A 105 -9.809 9.822 4.904 1.00 11.31 H new ATOM 0 HD3 ARG A 105 -8.694 10.520 6.063 1.00 11.31 H new ATOM 0 HE ARG A 105 -10.807 12.396 5.452 1.00 12.23 H new ATOM 0 HH11 ARG A 105 -10.084 9.427 7.221 1.00 2.12 H new ATOM 0 HH12 ARG A 105 -11.343 9.703 8.429 1.00 2.12 H new ATOM 0 HH21 ARG A 105 -12.425 12.742 7.008 1.00 44.44 H new ATOM 0 HH22 ARG A 105 -12.663 11.571 8.309 1.00 44.44 H new ATOM 1720 N PHE A 106 -5.524 11.434 1.903 1.00 42.51 N ATOM 1721 CA PHE A 106 -4.140 11.314 1.457 1.00 13.23 C ATOM 1722 C PHE A 106 -3.549 9.972 1.876 1.00 1.22 C ATOM 1723 O PHE A 106 -4.247 9.116 2.419 1.00 62.30 O ATOM 1724 CB PHE A 106 -3.297 12.456 2.028 1.00 10.53 C ATOM 1725 CG PHE A 106 -3.904 13.814 1.816 1.00 41.41 C ATOM 1726 CD1 PHE A 106 -3.761 14.469 0.604 1.00 42.42 C ATOM 1727 CD2 PHE A 106 -4.616 14.435 2.829 1.00 34.41 C ATOM 1728 CE1 PHE A 106 -4.318 15.719 0.405 1.00 65.34 C ATOM 1729 CE2 PHE A 106 -5.176 15.684 2.635 1.00 72.32 C ATOM 1730 CZ PHE A 106 -5.026 16.327 1.422 1.00 43.40 C ATOM 0 H PHE A 106 -5.646 11.975 2.759 1.00 42.51 H new ATOM 0 HA PHE A 106 -4.129 11.373 0.369 1.00 13.23 H new ATOM 0 HB2 PHE A 106 -3.155 12.293 3.096 1.00 10.53 H new ATOM 0 HB3 PHE A 106 -2.309 12.433 1.568 1.00 10.53 H new ATOM 0 HD1 PHE A 106 -3.208 13.998 -0.195 1.00 42.42 H new ATOM 0 HD2 PHE A 106 -4.735 13.938 3.781 1.00 34.41 H new ATOM 0 HE1 PHE A 106 -4.199 16.219 -0.545 1.00 65.34 H new ATOM 0 HE2 PHE A 106 -5.731 16.157 3.432 1.00 72.32 H new ATOM 0 HZ PHE A 106 -5.462 17.303 1.270 1.00 43.40 H new ATOM 1740 N TYR A 107 -2.257 9.796 1.619 1.00 31.45 N ATOM 1741 CA TYR A 107 -1.571 8.556 1.967 1.00 74.13 C ATOM 1742 C TYR A 107 -0.080 8.800 2.181 1.00 74.13 C ATOM 1743 O TYR A 107 0.566 9.495 1.395 1.00 62.41 O ATOM 1744 CB TYR A 107 -1.776 7.511 0.869 1.00 10.41 C ATOM 1745 CG TYR A 107 -1.446 8.016 -0.518 1.00 2.12 C ATOM 1746 CD1 TYR A 107 -0.127 8.195 -0.917 1.00 23.13 C ATOM 1747 CD2 TYR A 107 -2.451 8.315 -1.428 1.00 14.15 C ATOM 1748 CE1 TYR A 107 0.181 8.656 -2.182 1.00 52.00 C ATOM 1749 CE2 TYR A 107 -2.154 8.775 -2.695 1.00 52.24 C ATOM 1750 CZ TYR A 107 -0.836 8.944 -3.068 1.00 2.21 C ATOM 1751 OH TYR A 107 -0.536 9.404 -4.329 1.00 43.13 O ATOM 0 H TYR A 107 -1.664 10.495 1.172 1.00 31.45 H new ATOM 0 HA TYR A 107 -1.997 8.183 2.899 1.00 74.13 H new ATOM 0 HB2 TYR A 107 -1.156 6.641 1.087 1.00 10.41 H new ATOM 0 HB3 TYR A 107 -2.813 7.176 0.887 1.00 10.41 H new ATOM 0 HD1 TYR A 107 0.672 7.970 -0.226 1.00 23.13 H new ATOM 0 HD2 TYR A 107 -3.484 8.185 -1.139 1.00 14.15 H new ATOM 0 HE1 TYR A 107 1.212 8.790 -2.476 1.00 52.00 H new ATOM 0 HE2 TYR A 107 -2.949 9.001 -3.391 1.00 52.24 H new ATOM 0 HH TYR A 107 -1.366 9.557 -4.827 1.00 43.13 H new ATOM 1761 N VAL A 108 0.459 8.225 3.249 1.00 25.42 N ATOM 1762 CA VAL A 108 1.874 8.376 3.567 1.00 22.24 C ATOM 1763 C VAL A 108 2.663 7.132 3.175 1.00 20.51 C ATOM 1764 O VAL A 108 2.600 6.105 3.852 1.00 11.13 O ATOM 1765 CB VAL A 108 2.086 8.653 5.068 1.00 73.21 C ATOM 1766 CG1 VAL A 108 3.567 8.802 5.380 1.00 23.21 C ATOM 1767 CG2 VAL A 108 1.315 9.893 5.494 1.00 43.33 C ATOM 0 H VAL A 108 -0.062 7.649 3.910 1.00 25.42 H new ATOM 0 HA VAL A 108 2.237 9.228 2.992 1.00 22.24 H new ATOM 0 HB VAL A 108 1.704 7.803 5.634 1.00 73.21 H new ATOM 0 HG11 VAL A 108 3.697 8.997 6.445 1.00 23.21 H new ATOM 0 HG12 VAL A 108 4.089 7.883 5.113 1.00 23.21 H new ATOM 0 HG13 VAL A 108 3.978 9.633 4.806 1.00 23.21 H new ATOM 0 HG21 VAL A 108 1.476 10.074 6.557 1.00 43.33 H new ATOM 0 HG22 VAL A 108 1.664 10.753 4.922 1.00 43.33 H new ATOM 0 HG23 VAL A 108 0.252 9.742 5.309 1.00 43.33 H new ATOM 1777 N VAL A 109 3.406 7.229 2.078 1.00 51.05 N ATOM 1778 CA VAL A 109 4.208 6.112 1.595 1.00 1.20 C ATOM 1779 C VAL A 109 5.695 6.448 1.630 1.00 64.11 C ATOM 1780 O VAL A 109 6.103 7.548 1.256 1.00 33.35 O ATOM 1781 CB VAL A 109 3.816 5.717 0.159 1.00 51.23 C ATOM 1782 CG1 VAL A 109 2.349 6.026 -0.098 1.00 52.00 C ATOM 1783 CG2 VAL A 109 4.704 6.429 -0.851 1.00 12.22 C ATOM 0 H VAL A 109 3.469 8.071 1.506 1.00 51.05 H new ATOM 0 HA VAL A 109 4.012 5.271 2.260 1.00 1.20 H new ATOM 0 HB VAL A 109 3.962 4.643 0.044 1.00 51.23 H new ATOM 0 HG11 VAL A 109 2.090 5.740 -1.118 1.00 52.00 H new ATOM 0 HG12 VAL A 109 1.731 5.466 0.604 1.00 52.00 H new ATOM 0 HG13 VAL A 109 2.173 7.093 0.035 1.00 52.00 H new ATOM 0 HG21 VAL A 109 4.413 6.138 -1.860 1.00 12.22 H new ATOM 0 HG22 VAL A 109 4.592 7.507 -0.738 1.00 12.22 H new ATOM 0 HG23 VAL A 109 5.744 6.152 -0.680 1.00 12.22 H new ATOM 1793 N ALA A 110 6.502 5.493 2.080 1.00 73.32 N ATOM 1794 CA ALA A 110 7.944 5.686 2.161 1.00 45.41 C ATOM 1795 C ALA A 110 8.627 5.277 0.861 1.00 61.15 C ATOM 1796 O ALA A 110 8.701 4.092 0.532 1.00 54.42 O ATOM 1797 CB ALA A 110 8.517 4.900 3.330 1.00 0.24 C ATOM 0 H ALA A 110 6.181 4.577 2.394 1.00 73.32 H new ATOM 0 HA ALA A 110 8.135 6.747 2.323 1.00 45.41 H new ATOM 0 HB1 ALA A 110 9.595 5.054 3.378 1.00 0.24 H new ATOM 0 HB2 ALA A 110 8.060 5.243 4.258 1.00 0.24 H new ATOM 0 HB3 ALA A 110 8.307 3.839 3.193 1.00 0.24 H new ATOM 1803 N CYS A 111 9.126 6.264 0.123 1.00 75.51 N ATOM 1804 CA CYS A 111 9.801 6.006 -1.143 1.00 54.51 C ATOM 1805 C CYS A 111 11.296 5.793 -0.927 1.00 4.21 C ATOM 1806 O CYS A 111 11.939 6.532 -0.181 1.00 74.41 O ATOM 1807 CB CYS A 111 9.576 7.170 -2.110 1.00 74.32 C ATOM 1808 SG CYS A 111 8.105 6.983 -3.169 1.00 34.25 S ATOM 0 H CYS A 111 9.075 7.250 0.381 1.00 75.51 H new ATOM 0 HA CYS A 111 9.380 5.097 -1.573 1.00 54.51 H new ATOM 0 HB2 CYS A 111 9.483 8.092 -1.536 1.00 74.32 H new ATOM 0 HB3 CYS A 111 10.456 7.277 -2.744 1.00 74.32 H new ATOM 1813 N ASP A 112 11.844 4.778 -1.586 1.00 31.44 N ATOM 1814 CA ASP A 112 13.264 4.466 -1.468 1.00 53.42 C ATOM 1815 C ASP A 112 13.836 4.020 -2.810 1.00 14.43 C ATOM 1816 O ASP A 112 13.093 3.715 -3.741 1.00 60.21 O ATOM 1817 CB ASP A 112 13.483 3.375 -0.418 1.00 70.21 C ATOM 1818 CG ASP A 112 14.857 3.451 0.217 1.00 4.00 C ATOM 1819 OD1 ASP A 112 15.355 4.578 0.420 1.00 23.32 O ATOM 1820 OD2 ASP A 112 15.436 2.384 0.511 1.00 33.31 O ATOM 0 H ASP A 112 11.326 4.157 -2.208 1.00 31.44 H new ATOM 0 HA ASP A 112 13.785 5.371 -1.154 1.00 53.42 H new ATOM 0 HB2 ASP A 112 12.722 3.463 0.357 1.00 70.21 H new ATOM 0 HB3 ASP A 112 13.354 2.397 -0.882 1.00 70.21 H new ATOM 1825 N ASN A 113 15.161 3.988 -2.902 1.00 2.33 N ATOM 1826 CA ASN A 113 15.833 3.582 -4.130 1.00 4.20 C ATOM 1827 C ASN A 113 15.344 2.211 -4.590 1.00 40.51 C ATOM 1828 O ASN A 113 15.275 1.269 -3.801 1.00 11.11 O ATOM 1829 CB ASN A 113 17.348 3.552 -3.922 1.00 2.10 C ATOM 1830 CG ASN A 113 17.910 4.914 -3.564 1.00 41.41 C ATOM 1831 OD1 ASN A 113 17.421 5.578 -2.650 1.00 51.43 O ATOM 1832 ND2 ASN A 113 18.942 5.337 -4.284 1.00 62.52 N ATOM 0 H ASN A 113 15.791 4.239 -2.140 1.00 2.33 H new ATOM 0 HA ASN A 113 15.594 4.312 -4.903 1.00 4.20 H new ATOM 0 HB2 ASN A 113 17.589 2.843 -3.130 1.00 2.10 H new ATOM 0 HB3 ASN A 113 17.830 3.191 -4.831 1.00 2.10 H new ATOM 0 HD21 ASN A 113 19.362 6.246 -4.089 1.00 62.52 H new ATOM 0 HD22 ASN A 113 19.315 4.753 -5.033 1.00 62.52 H new ATOM 1839 N ARG A 114 15.008 2.109 -5.871 1.00 62.05 N ATOM 1840 CA ARG A 114 14.525 0.854 -6.437 1.00 5.43 C ATOM 1841 C ARG A 114 15.553 0.259 -7.396 1.00 73.10 C ATOM 1842 O ARG A 114 16.592 0.863 -7.660 1.00 54.14 O ATOM 1843 CB ARG A 114 13.199 1.075 -7.166 1.00 11.43 C ATOM 1844 CG ARG A 114 13.186 2.316 -8.042 1.00 71.34 C ATOM 1845 CD ARG A 114 14.357 2.325 -9.013 1.00 54.21 C ATOM 1846 NE ARG A 114 14.257 3.414 -9.982 1.00 10.00 N ATOM 1847 CZ ARG A 114 15.169 3.650 -10.918 1.00 71.01 C ATOM 1848 NH1 ARG A 114 16.244 2.879 -11.011 1.00 2.01 N ATOM 1849 NH2 ARG A 114 15.008 4.661 -11.763 1.00 23.43 N ATOM 0 H ARG A 114 15.061 2.880 -6.537 1.00 62.05 H new ATOM 0 HA ARG A 114 14.368 0.152 -5.618 1.00 5.43 H new ATOM 0 HB2 ARG A 114 12.983 0.203 -7.783 1.00 11.43 H new ATOM 0 HB3 ARG A 114 12.398 1.151 -6.431 1.00 11.43 H new ATOM 0 HG2 ARG A 114 12.250 2.360 -8.599 1.00 71.34 H new ATOM 0 HG3 ARG A 114 13.226 3.206 -7.414 1.00 71.34 H new ATOM 0 HD2 ARG A 114 15.289 2.420 -8.456 1.00 54.21 H new ATOM 0 HD3 ARG A 114 14.397 1.372 -9.541 1.00 54.21 H new ATOM 0 HE ARG A 114 13.442 4.026 -9.937 1.00 10.00 H new ATOM 0 HH11 ARG A 114 16.372 2.102 -10.363 1.00 2.01 H new ATOM 0 HH12 ARG A 114 16.943 3.063 -11.731 1.00 2.01 H new ATOM 0 HH21 ARG A 114 14.183 5.257 -11.694 1.00 23.43 H new ATOM 0 HH22 ARG A 114 15.709 4.842 -12.482 1.00 23.43 H new ATOM 1863 N ASP A 115 15.254 -0.928 -7.912 1.00 50.40 N ATOM 1864 CA ASP A 115 16.150 -1.605 -8.842 1.00 52.45 C ATOM 1865 C ASP A 115 16.101 -0.948 -10.219 1.00 71.21 C ATOM 1866 O ASP A 115 15.053 -0.493 -10.679 1.00 63.20 O ATOM 1867 CB ASP A 115 15.781 -3.084 -8.955 1.00 41.32 C ATOM 1868 CG ASP A 115 16.539 -3.947 -7.965 1.00 64.13 C ATOM 1869 OD1 ASP A 115 17.769 -4.092 -8.127 1.00 22.14 O ATOM 1870 OD2 ASP A 115 15.903 -4.477 -7.031 1.00 21.54 O ATOM 0 H ASP A 115 14.398 -1.441 -7.702 1.00 50.40 H new ATOM 0 HA ASP A 115 17.166 -1.522 -8.455 1.00 52.45 H new ATOM 0 HB2 ASP A 115 14.710 -3.202 -8.790 1.00 41.32 H new ATOM 0 HB3 ASP A 115 15.988 -3.431 -9.968 1.00 41.32 H new ATOM 1875 N PRO A 116 17.259 -0.897 -10.892 1.00 41.42 N ATOM 1876 CA PRO A 116 17.374 -0.298 -12.225 1.00 65.11 C ATOM 1877 C PRO A 116 16.676 -1.129 -13.296 1.00 23.42 C ATOM 1878 O PRO A 116 16.730 -0.804 -14.482 1.00 63.33 O ATOM 1879 CB PRO A 116 18.884 -0.269 -12.473 1.00 2.14 C ATOM 1880 CG PRO A 116 19.430 -1.363 -11.620 1.00 74.54 C ATOM 1881 CD PRO A 116 18.547 -1.420 -10.405 1.00 11.32 C ATOM 0 HA PRO A 116 16.901 0.683 -12.272 1.00 65.11 H new ATOM 0 HB2 PRO A 116 19.115 -0.435 -13.525 1.00 2.14 H new ATOM 0 HB3 PRO A 116 19.311 0.696 -12.201 1.00 2.14 H new ATOM 0 HG2 PRO A 116 19.423 -2.314 -12.153 1.00 74.54 H new ATOM 0 HG3 PRO A 116 20.464 -1.162 -11.342 1.00 74.54 H new ATOM 0 HD2 PRO A 116 18.450 -2.438 -10.027 1.00 11.32 H new ATOM 0 HD3 PRO A 116 18.945 -0.814 -9.591 1.00 11.32 H new ATOM 1889 N ARG A 117 16.020 -2.204 -12.871 1.00 23.23 N ATOM 1890 CA ARG A 117 15.312 -3.083 -13.794 1.00 14.03 C ATOM 1891 C ARG A 117 13.827 -3.153 -13.446 1.00 2.20 C ATOM 1892 O ARG A 117 13.080 -3.939 -14.028 1.00 23.10 O ATOM 1893 CB ARG A 117 15.919 -4.486 -13.764 1.00 44.24 C ATOM 1894 CG ARG A 117 15.681 -5.226 -12.459 1.00 5.15 C ATOM 1895 CD ARG A 117 15.659 -6.733 -12.668 1.00 14.33 C ATOM 1896 NE ARG A 117 15.567 -7.459 -11.404 1.00 43.44 N ATOM 1897 CZ ARG A 117 15.237 -8.742 -11.316 1.00 2.00 C ATOM 1898 NH1 ARG A 117 14.967 -9.437 -12.413 1.00 22.11 N ATOM 1899 NH2 ARG A 117 15.175 -9.333 -10.130 1.00 23.42 N ATOM 0 H ARG A 117 15.964 -2.487 -11.893 1.00 23.23 H new ATOM 0 HA ARG A 117 15.415 -2.672 -14.798 1.00 14.03 H new ATOM 0 HB2 ARG A 117 15.502 -5.070 -14.584 1.00 44.24 H new ATOM 0 HB3 ARG A 117 16.992 -4.412 -13.939 1.00 44.24 H new ATOM 0 HG2 ARG A 117 16.464 -4.968 -11.745 1.00 5.15 H new ATOM 0 HG3 ARG A 117 14.735 -4.904 -12.024 1.00 5.15 H new ATOM 0 HD2 ARG A 117 14.813 -6.999 -13.301 1.00 14.33 H new ATOM 0 HD3 ARG A 117 16.562 -7.039 -13.197 1.00 14.33 H new ATOM 0 HE ARG A 117 15.767 -6.953 -10.542 1.00 43.44 H new ATOM 0 HH11 ARG A 117 15.013 -8.986 -13.327 1.00 22.11 H new ATOM 0 HH12 ARG A 117 14.714 -10.423 -12.343 1.00 22.11 H new ATOM 0 HH21 ARG A 117 15.381 -8.802 -9.284 1.00 23.42 H new ATOM 0 HH22 ARG A 117 14.921 -10.319 -10.064 1.00 23.42 H new ATOM 1913 N ASP A 118 13.408 -2.327 -12.494 1.00 72.11 N ATOM 1914 CA ASP A 118 12.013 -2.294 -12.070 1.00 61.12 C ATOM 1915 C ASP A 118 11.375 -0.949 -12.402 1.00 64.01 C ATOM 1916 O ASP A 118 10.280 -0.891 -12.961 1.00 31.14 O ATOM 1917 CB ASP A 118 11.909 -2.565 -10.568 1.00 11.51 C ATOM 1918 CG ASP A 118 11.752 -4.039 -10.255 1.00 65.32 C ATOM 1919 OD1 ASP A 118 12.779 -4.748 -10.204 1.00 12.45 O ATOM 1920 OD2 ASP A 118 10.602 -4.487 -10.063 1.00 74.01 O ATOM 0 H ASP A 118 14.014 -1.671 -12.001 1.00 72.11 H new ATOM 0 HA ASP A 118 11.476 -3.073 -12.611 1.00 61.12 H new ATOM 0 HB2 ASP A 118 12.801 -2.184 -10.071 1.00 11.51 H new ATOM 0 HB3 ASP A 118 11.059 -2.018 -10.161 1.00 11.51 H new ATOM 1925 N SER A 119 12.068 0.131 -12.055 1.00 13.45 N ATOM 1926 CA SER A 119 11.566 1.476 -12.311 1.00 51.21 C ATOM 1927 C SER A 119 12.539 2.260 -13.187 1.00 51.21 C ATOM 1928 O SER A 119 13.327 3.076 -12.707 1.00 62.23 O ATOM 1929 CB SER A 119 11.337 2.219 -10.993 1.00 22.50 C ATOM 1930 OG SER A 119 10.282 3.157 -11.114 1.00 21.03 O ATOM 0 H SER A 119 12.978 0.101 -11.596 1.00 13.45 H new ATOM 0 HA SER A 119 10.617 1.388 -12.839 1.00 51.21 H new ATOM 0 HB2 SER A 119 11.103 1.504 -10.204 1.00 22.50 H new ATOM 0 HB3 SER A 119 12.252 2.732 -10.697 1.00 22.50 H new ATOM 0 HG SER A 119 9.649 3.034 -10.376 1.00 21.03 H new ATOM 1936 N PRO A 120 12.484 2.008 -14.503 1.00 4.40 N ATOM 1937 CA PRO A 120 13.352 2.680 -15.475 1.00 5.04 C ATOM 1938 C PRO A 120 13.002 4.154 -15.643 1.00 4.21 C ATOM 1939 O PRO A 120 13.843 4.960 -16.046 1.00 33.33 O ATOM 1940 CB PRO A 120 13.088 1.915 -16.774 1.00 42.43 C ATOM 1941 CG PRO A 120 11.721 1.351 -16.610 1.00 32.35 C ATOM 1942 CD PRO A 120 11.570 1.048 -15.145 1.00 14.24 C ATOM 0 HA PRO A 120 14.397 2.671 -15.164 1.00 5.04 H new ATOM 0 HB2 PRO A 120 13.143 2.575 -17.640 1.00 42.43 H new ATOM 0 HB3 PRO A 120 13.826 1.127 -16.926 1.00 42.43 H new ATOM 0 HG2 PRO A 120 10.964 2.061 -16.941 1.00 32.35 H new ATOM 0 HG3 PRO A 120 11.597 0.449 -17.210 1.00 32.35 H new ATOM 0 HD2 PRO A 120 10.542 1.186 -14.810 1.00 14.24 H new ATOM 0 HD3 PRO A 120 11.844 0.018 -14.917 1.00 14.24 H new ATOM 1950 N ARG A 121 11.758 4.501 -15.331 1.00 41.24 N ATOM 1951 CA ARG A 121 11.297 5.879 -15.450 1.00 35.02 C ATOM 1952 C ARG A 121 11.384 6.598 -14.107 1.00 13.12 C ATOM 1953 O ARG A 121 12.002 7.658 -13.997 1.00 72.01 O ATOM 1954 CB ARG A 121 9.857 5.916 -15.967 1.00 43.20 C ATOM 1955 CG ARG A 121 8.858 5.253 -15.034 1.00 15.25 C ATOM 1956 CD ARG A 121 7.572 4.892 -15.760 1.00 42.22 C ATOM 1957 NE ARG A 121 6.724 6.059 -15.984 1.00 55.22 N ATOM 1958 CZ ARG A 121 5.698 6.071 -16.829 1.00 30.05 C ATOM 1959 NH1 ARG A 121 5.394 4.984 -17.524 1.00 22.30 N ATOM 1960 NH2 ARG A 121 4.973 7.173 -16.977 1.00 70.54 N ATOM 0 H ARG A 121 11.051 3.847 -14.994 1.00 41.24 H new ATOM 0 HA ARG A 121 11.944 6.392 -16.161 1.00 35.02 H new ATOM 0 HB2 ARG A 121 9.562 6.954 -16.123 1.00 43.20 H new ATOM 0 HB3 ARG A 121 9.816 5.424 -16.939 1.00 43.20 H new ATOM 0 HG2 ARG A 121 9.300 4.353 -14.606 1.00 15.25 H new ATOM 0 HG3 ARG A 121 8.633 5.923 -14.205 1.00 15.25 H new ATOM 0 HD2 ARG A 121 7.814 4.430 -16.717 1.00 42.22 H new ATOM 0 HD3 ARG A 121 7.023 4.151 -15.178 1.00 42.22 H new ATOM 0 HE ARG A 121 6.930 6.912 -15.464 1.00 55.22 H new ATOM 0 HH11 ARG A 121 5.948 4.135 -17.411 1.00 22.30 H new ATOM 0 HH12 ARG A 121 4.606 4.997 -18.172 1.00 22.30 H new ATOM 0 HH21 ARG A 121 5.203 8.011 -16.442 1.00 70.54 H new ATOM 0 HH22 ARG A 121 4.186 7.182 -17.625 1.00 70.54 H new ATOM 1974 N TYR A 122 10.761 6.016 -13.088 1.00 24.05 N ATOM 1975 CA TYR A 122 10.766 6.602 -11.753 1.00 2.22 C ATOM 1976 C TYR A 122 11.986 6.142 -10.960 1.00 33.14 C ATOM 1977 O TYR A 122 12.283 4.952 -10.864 1.00 64.23 O ATOM 1978 CB TYR A 122 9.486 6.228 -11.004 1.00 24.30 C ATOM 1979 CG TYR A 122 8.247 6.262 -11.869 1.00 54.14 C ATOM 1980 CD1 TYR A 122 7.687 7.470 -12.267 1.00 64.23 C ATOM 1981 CD2 TYR A 122 7.635 5.087 -12.289 1.00 24.33 C ATOM 1982 CE1 TYR A 122 6.554 7.506 -13.057 1.00 11.03 C ATOM 1983 CE2 TYR A 122 6.503 5.113 -13.079 1.00 50.33 C ATOM 1984 CZ TYR A 122 5.966 6.325 -13.461 1.00 22.23 C ATOM 1985 OH TYR A 122 4.838 6.357 -14.248 1.00 30.42 O ATOM 0 H TYR A 122 10.246 5.139 -13.161 1.00 24.05 H new ATOM 0 HA TYR A 122 10.813 7.686 -11.860 1.00 2.22 H new ATOM 0 HB2 TYR A 122 9.599 5.228 -10.585 1.00 24.30 H new ATOM 0 HB3 TYR A 122 9.353 6.912 -10.166 1.00 24.30 H new ATOM 0 HD1 TYR A 122 8.145 8.396 -11.953 1.00 64.23 H new ATOM 0 HD2 TYR A 122 8.053 4.136 -11.992 1.00 24.33 H new ATOM 0 HE1 TYR A 122 6.131 8.453 -13.357 1.00 11.03 H new ATOM 0 HE2 TYR A 122 6.041 4.190 -13.396 1.00 50.33 H new ATOM 0 HH TYR A 122 4.551 5.441 -14.445 1.00 30.42 H new ATOM 1995 N PRO A 123 12.710 7.109 -10.376 1.00 72.45 N ATOM 1996 CA PRO A 123 13.908 6.829 -9.580 1.00 72.12 C ATOM 1997 C PRO A 123 13.579 6.143 -8.259 1.00 72.02 C ATOM 1998 O PRO A 123 14.177 5.125 -7.910 1.00 60.21 O ATOM 1999 CB PRO A 123 14.499 8.219 -9.329 1.00 2.23 C ATOM 2000 CG PRO A 123 13.338 9.147 -9.425 1.00 3.31 C ATOM 2001 CD PRO A 123 12.414 8.550 -10.449 1.00 73.42 C ATOM 0 HA PRO A 123 14.588 6.148 -10.092 1.00 72.12 H new ATOM 0 HB2 PRO A 123 14.972 8.277 -8.349 1.00 2.23 H new ATOM 0 HB3 PRO A 123 15.263 8.463 -10.067 1.00 2.23 H new ATOM 0 HG2 PRO A 123 12.839 9.249 -8.461 1.00 3.31 H new ATOM 0 HG3 PRO A 123 13.660 10.145 -9.724 1.00 3.31 H new ATOM 0 HD2 PRO A 123 11.369 8.758 -10.218 1.00 73.42 H new ATOM 0 HD3 PRO A 123 12.606 8.950 -11.445 1.00 73.42 H new ATOM 2009 N VAL A 124 12.624 6.707 -7.527 1.00 20.44 N ATOM 2010 CA VAL A 124 12.213 6.148 -6.244 1.00 63.20 C ATOM 2011 C VAL A 124 10.834 5.504 -6.340 1.00 44.14 C ATOM 2012 O VAL A 124 10.078 5.768 -7.275 1.00 63.02 O ATOM 2013 CB VAL A 124 12.188 7.226 -5.144 1.00 43.51 C ATOM 2014 CG1 VAL A 124 10.844 7.939 -5.125 1.00 62.21 C ATOM 2015 CG2 VAL A 124 12.494 6.609 -3.787 1.00 54.24 C ATOM 0 H VAL A 124 12.120 7.551 -7.800 1.00 20.44 H new ATOM 0 HA VAL A 124 12.948 5.387 -5.981 1.00 63.20 H new ATOM 0 HB VAL A 124 12.960 7.964 -5.364 1.00 43.51 H new ATOM 0 HG11 VAL A 124 10.845 8.697 -4.342 1.00 62.21 H new ATOM 0 HG12 VAL A 124 10.671 8.415 -6.090 1.00 62.21 H new ATOM 0 HG13 VAL A 124 10.052 7.217 -4.930 1.00 62.21 H new ATOM 0 HG21 VAL A 124 12.472 7.385 -3.021 1.00 54.24 H new ATOM 0 HG22 VAL A 124 11.747 5.850 -3.556 1.00 54.24 H new ATOM 0 HG23 VAL A 124 13.482 6.150 -3.811 1.00 54.24 H new ATOM 2025 N VAL A 125 10.513 4.657 -5.367 1.00 43.53 N ATOM 2026 CA VAL A 125 9.225 3.976 -5.341 1.00 33.31 C ATOM 2027 C VAL A 125 8.799 3.661 -3.912 1.00 22.13 C ATOM 2028 O VAL A 125 9.625 3.481 -3.017 1.00 2.23 O ATOM 2029 CB VAL A 125 9.265 2.668 -6.153 1.00 55.12 C ATOM 2030 CG1 VAL A 125 9.628 2.951 -7.603 1.00 73.31 C ATOM 2031 CG2 VAL A 125 10.246 1.685 -5.532 1.00 31.31 C ATOM 0 H VAL A 125 11.128 4.426 -4.586 1.00 43.53 H new ATOM 0 HA VAL A 125 8.500 4.653 -5.793 1.00 33.31 H new ATOM 0 HB VAL A 125 8.273 2.218 -6.133 1.00 55.12 H new ATOM 0 HG11 VAL A 125 9.652 2.015 -8.161 1.00 73.31 H new ATOM 0 HG12 VAL A 125 8.884 3.616 -8.041 1.00 73.31 H new ATOM 0 HG13 VAL A 125 10.609 3.424 -7.647 1.00 73.31 H new ATOM 0 HG21 VAL A 125 10.261 0.767 -6.119 1.00 31.31 H new ATOM 0 HG22 VAL A 125 11.243 2.125 -5.520 1.00 31.31 H new ATOM 0 HG23 VAL A 125 9.937 1.458 -4.511 1.00 31.31 H new ATOM 2041 N PRO A 126 7.478 3.590 -3.690 1.00 3.21 N ATOM 2042 CA PRO A 126 6.912 3.295 -2.370 1.00 51.01 C ATOM 2043 C PRO A 126 7.159 1.852 -1.943 1.00 4.41 C ATOM 2044 O PRO A 126 6.939 0.919 -2.714 1.00 4.04 O ATOM 2045 CB PRO A 126 5.415 3.545 -2.563 1.00 74.21 C ATOM 2046 CG PRO A 126 5.179 3.338 -4.019 1.00 42.22 C ATOM 2047 CD PRO A 126 6.436 3.792 -4.709 1.00 72.25 C ATOM 0 HA PRO A 126 7.363 3.905 -1.587 1.00 51.01 H new ATOM 0 HB2 PRO A 126 4.819 2.857 -1.964 1.00 74.21 H new ATOM 0 HB3 PRO A 126 5.140 4.554 -2.257 1.00 74.21 H new ATOM 0 HG2 PRO A 126 4.971 2.290 -4.236 1.00 42.22 H new ATOM 0 HG3 PRO A 126 4.317 3.911 -4.360 1.00 42.22 H new ATOM 0 HD2 PRO A 126 6.634 3.208 -5.607 1.00 72.25 H new ATOM 0 HD3 PRO A 126 6.371 4.836 -5.016 1.00 72.25 H new ATOM 2055 N VAL A 127 7.619 1.676 -0.708 1.00 40.21 N ATOM 2056 CA VAL A 127 7.896 0.347 -0.177 1.00 1.24 C ATOM 2057 C VAL A 127 7.308 0.180 1.220 1.00 0.14 C ATOM 2058 O VAL A 127 7.564 -0.817 1.898 1.00 51.42 O ATOM 2059 CB VAL A 127 9.409 0.068 -0.121 1.00 64.14 C ATOM 2060 CG1 VAL A 127 9.998 0.036 -1.524 1.00 4.22 C ATOM 2061 CG2 VAL A 127 10.112 1.109 0.737 1.00 41.35 C ATOM 0 H VAL A 127 7.808 2.438 -0.057 1.00 40.21 H new ATOM 0 HA VAL A 127 7.428 -0.367 -0.854 1.00 1.24 H new ATOM 0 HB VAL A 127 9.564 -0.910 0.335 1.00 64.14 H new ATOM 0 HG11 VAL A 127 11.068 -0.162 -1.465 1.00 4.22 H new ATOM 0 HG12 VAL A 127 9.515 -0.750 -2.104 1.00 4.22 H new ATOM 0 HG13 VAL A 127 9.834 0.998 -2.010 1.00 4.22 H new ATOM 0 HG21 VAL A 127 11.181 0.896 0.765 1.00 41.35 H new ATOM 0 HG22 VAL A 127 9.951 2.100 0.312 1.00 41.35 H new ATOM 0 HG23 VAL A 127 9.709 1.078 1.749 1.00 41.35 H new ATOM 2071 N HIS A 128 6.519 1.161 1.646 1.00 44.05 N ATOM 2072 CA HIS A 128 5.893 1.123 2.962 1.00 4.22 C ATOM 2073 C HIS A 128 4.779 2.160 3.065 1.00 64.20 C ATOM 2074 O HIS A 128 4.889 3.260 2.521 1.00 32.53 O ATOM 2075 CB HIS A 128 6.937 1.368 4.054 1.00 73.40 C ATOM 2076 CG HIS A 128 6.343 1.752 5.374 1.00 14.32 C ATOM 2077 ND1 HIS A 128 5.605 2.828 5.733 1.00 11.01 N flip ATOM 2078 CD2 HIS A 128 6.484 0.987 6.513 1.00 11.53 C flip ATOM 2079 CE1 HIS A 128 5.316 2.695 7.069 1.00 22.04 C flip ATOM 2080 NE2 HIS A 128 5.856 1.576 7.515 1.00 13.15 N flip ATOM 0 H HIS A 128 6.298 1.993 1.098 1.00 44.05 H new ATOM 0 HA HIS A 128 5.457 0.134 3.101 1.00 4.22 H new ATOM 0 HB2 HIS A 128 7.535 0.466 4.183 1.00 73.40 H new ATOM 0 HB3 HIS A 128 7.615 2.156 3.727 1.00 73.40 H new ATOM 0 HD2 HIS A 128 7.023 0.053 6.576 1.00 11.53 H new ATOM 0 HE1 HIS A 128 4.740 3.393 7.659 1.00 22.04 H new ATOM 0 HE2 HIS A 128 5.798 1.226 8.471 1.00 13.15 H new ATOM 2089 N LEU A 129 3.708 1.803 3.765 1.00 64.14 N ATOM 2090 CA LEU A 129 2.573 2.703 3.939 1.00 32.22 C ATOM 2091 C LEU A 129 2.289 2.942 5.418 1.00 4.33 C ATOM 2092 O LEU A 129 1.849 2.039 6.130 1.00 11.51 O ATOM 2093 CB LEU A 129 1.331 2.127 3.257 1.00 71.53 C ATOM 2094 CG LEU A 129 0.326 3.146 2.720 1.00 74.42 C ATOM 2095 CD1 LEU A 129 -0.473 3.760 3.859 1.00 4.23 C ATOM 2096 CD2 LEU A 129 1.038 4.228 1.923 1.00 51.15 C ATOM 0 H LEU A 129 3.602 0.897 4.221 1.00 64.14 H new ATOM 0 HA LEU A 129 2.824 3.658 3.477 1.00 32.22 H new ATOM 0 HB2 LEU A 129 1.655 1.496 2.430 1.00 71.53 H new ATOM 0 HB3 LEU A 129 0.817 1.481 3.969 1.00 71.53 H new ATOM 0 HG LEU A 129 -0.366 2.629 2.056 1.00 74.42 H new ATOM 0 HD11 LEU A 129 -1.183 4.483 3.457 1.00 4.23 H new ATOM 0 HD12 LEU A 129 -1.014 2.976 4.388 1.00 4.23 H new ATOM 0 HD13 LEU A 129 0.205 4.262 4.549 1.00 4.23 H new ATOM 0 HD21 LEU A 129 0.307 4.945 1.548 1.00 51.15 H new ATOM 0 HD22 LEU A 129 1.753 4.742 2.565 1.00 51.15 H new ATOM 0 HD23 LEU A 129 1.565 3.774 1.083 1.00 51.15 H new ATOM 2108 N ASP A 130 2.543 4.164 5.873 1.00 34.23 N ATOM 2109 CA ASP A 130 2.312 4.524 7.268 1.00 75.53 C ATOM 2110 C ASP A 130 0.818 4.574 7.575 1.00 4.41 C ATOM 2111 O ASP A 130 0.331 3.871 8.461 1.00 1.45 O ATOM 2112 CB ASP A 130 2.956 5.875 7.581 1.00 2.15 C ATOM 2113 CG ASP A 130 3.407 5.979 9.025 1.00 42.42 C ATOM 2114 OD1 ASP A 130 2.585 6.377 9.877 1.00 1.35 O ATOM 2115 OD2 ASP A 130 4.583 5.662 9.304 1.00 74.54 O ATOM 0 H ASP A 130 2.909 4.922 5.297 1.00 34.23 H new ATOM 0 HA ASP A 130 2.768 3.759 7.896 1.00 75.53 H new ATOM 0 HB2 ASP A 130 3.812 6.027 6.924 1.00 2.15 H new ATOM 0 HB3 ASP A 130 2.244 6.672 7.367 1.00 2.15 H new ATOM 2120 N THR A 131 0.096 5.412 6.839 1.00 71.22 N ATOM 2121 CA THR A 131 -1.342 5.557 7.033 1.00 0.45 C ATOM 2122 C THR A 131 -1.963 6.409 5.934 1.00 60.24 C ATOM 2123 O THR A 131 -1.264 6.912 5.053 1.00 45.51 O ATOM 2124 CB THR A 131 -1.662 6.191 8.401 1.00 70.52 C ATOM 2125 OG1 THR A 131 -3.059 6.063 8.685 1.00 53.11 O ATOM 2126 CG2 THR A 131 -1.267 7.660 8.421 1.00 23.13 C ATOM 0 H THR A 131 0.483 6.001 6.102 1.00 71.22 H new ATOM 0 HA THR A 131 -1.768 4.555 6.995 1.00 0.45 H new ATOM 0 HB THR A 131 -1.088 5.666 9.164 1.00 70.52 H new ATOM 0 HG1 THR A 131 -3.254 6.467 9.556 1.00 53.11 H new ATOM 0 HG21 THR A 131 -1.502 8.087 9.396 1.00 23.13 H new ATOM 0 HG22 THR A 131 -0.197 7.752 8.233 1.00 23.13 H new ATOM 0 HG23 THR A 131 -1.818 8.196 7.648 1.00 23.13 H new ATOM 2134 N THR A 132 -3.282 6.568 5.987 1.00 23.31 N ATOM 2135 CA THR A 132 -3.998 7.359 4.994 1.00 42.20 C ATOM 2136 C THR A 132 -4.809 8.467 5.655 1.00 34.34 C ATOM 2137 O THR A 132 -5.779 8.199 6.366 1.00 61.41 O ATOM 2138 CB THR A 132 -4.940 6.481 4.150 1.00 34.30 C ATOM 2139 OG1 THR A 132 -5.551 5.482 4.976 1.00 43.43 O ATOM 2140 CG2 THR A 132 -4.183 5.812 3.013 1.00 54.32 C ATOM 0 H THR A 132 -3.876 6.159 6.708 1.00 23.31 H new ATOM 0 HA THR A 132 -3.246 7.803 4.341 1.00 42.20 H new ATOM 0 HB THR A 132 -5.712 7.122 3.724 1.00 34.30 H new ATOM 0 HG1 THR A 132 -5.752 4.689 4.436 1.00 43.43 H new ATOM 0 HG21 THR A 132 -4.870 5.197 2.431 1.00 54.32 H new ATOM 0 HG22 THR A 132 -3.744 6.575 2.370 1.00 54.32 H new ATOM 0 HG23 THR A 132 -3.392 5.184 3.423 1.00 54.32 H new ATOM 2148 N ILE A 133 -4.409 9.710 5.417 1.00 51.02 N ATOM 2149 CA ILE A 133 -5.102 10.859 5.989 1.00 44.12 C ATOM 2150 C ILE A 133 -5.348 11.933 4.935 1.00 44.01 C ATOM 2151 O ILE A 133 -6.064 12.905 5.179 1.00 64.23 O ATOM 2152 CB ILE A 133 -4.305 11.473 7.155 1.00 40.11 C ATOM 2153 CG1 ILE A 133 -4.962 12.775 7.619 1.00 22.23 C ATOM 2154 CG2 ILE A 133 -2.862 11.719 6.740 1.00 72.30 C ATOM 2155 CD1 ILE A 133 -4.454 14.001 6.892 1.00 62.54 C ATOM 0 H ILE A 133 -3.608 9.949 4.832 1.00 51.02 H new ATOM 0 HA ILE A 133 -6.059 10.496 6.365 1.00 44.12 H new ATOM 0 HB ILE A 133 -4.307 10.770 7.988 1.00 40.11 H new ATOM 0 HG12 ILE A 133 -6.040 12.699 7.477 1.00 22.23 H new ATOM 0 HG13 ILE A 133 -4.789 12.899 8.688 1.00 22.23 H new ATOM 0 HG21 ILE A 133 -2.312 12.153 7.575 1.00 72.30 H new ATOM 0 HG22 ILE A 133 -2.400 10.774 6.453 1.00 72.30 H new ATOM 0 HG23 ILE A 133 -2.839 12.406 5.894 1.00 72.30 H new ATOM 0 HD11 ILE A 133 -4.963 14.887 7.272 1.00 62.54 H new ATOM 0 HD12 ILE A 133 -3.381 14.102 7.055 1.00 62.54 H new ATOM 0 HD13 ILE A 133 -4.651 13.899 5.825 1.00 62.54 H new TER 2167 ILE A 133